← Back to consensus flow objects

Methyl 3,7-diacetoxy-12-hydroxycholan-24-oate

Flow Object IDfo-b10ca8f7c4ffdcb7
TypeConsensus
prefLabel
Label Language
Methyl 3,7-diacetoxy-12-hydroxycholan-24-oate en
Alt Labels
Label Language Provenance
3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester en
Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)- en
Cholic acid, methyl ester, 3,7-diacetate en
Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate en
Methyl 3,7-di-<em>O</em>-acetylcholate en
CAS Numbers3749-87-9
EC Numbers223-151-6
Changes Applied26

Properties

Predicate Value
InChIKey VKXXPYARELKQOY-CXFLVZIOSA-N, VKXXPYARELKQOY-UHFFFAOYSA-N, ZOMATQMEHRJKLO-UHFFFAOYSA-N
InChI InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3, InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1, InChI=1S/C4H6N2O/c7-3-4-5-1-2-6-4/h1-2,7H,3H2,(H,5,6)
IUPAC name (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester, (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester, 1H-imidazol-2-ylmethanol, 4-(3,7-diacetoxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester, 4-(3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester, methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate, methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate, methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate, methyl 4-(3,7-diacetoxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate, methyl 4-(3,7-diacetyloxy-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate, methyl 4-(3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Molecular formula C29H46O7, C4H6N2O
SMILES C1=CN=C(N1)CO, CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)O)C, C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)O)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
4bec1e1d… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
9d61fc04… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
572d9122… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
e195cef2… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
711a6cbf… EF 3.1 kg Environmental → Air → Unknown 2 2
9c75c40e… EF 3.1 kg Environmental → Air → Unknown 2 2
9efa6fd5… EF 3.1 kg Environmental → Ground → Agricultural 2 2
be3bc881… EF 3.1 kg Environmental → Ground → Unknown 2 2
1f51513e… EF 3.1 kg Environmental → Water → Ocean 2 2
039208b4… EF 3.1 kg Environmental → Water → Surface water 2 2
b7b93de0… EF 3.1 kg Environmental → Water → Unknown 2 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
039208b4… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
039208b4… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
1f51513e… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
1f51513e… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
4bec1e1d… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
4bec1e1d… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
572d9122… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
572d9122… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
711a6cbf… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
711a6cbf… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
9c75c40e… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
9c75c40e… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
9d61fc04… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
9d61fc04… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
9efa6fd5… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
9efa6fd5… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
a342294e… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
a342294e… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
b7b93de0… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
b7b93de0… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
be3bc881… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
be3bc881… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
e195cef2… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
e195cef2… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}
f050563c… altLabel [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cholic acid, methyl ester, 3,7-diacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Methyl 3,7-di-<em>O</em>-acetylcholate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3749-87-9","https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7
f050563c… cas_match_labels {"3749-87-9":"exactMatch"} group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-b10ca8f7c4ffdcb7",
  "prefLabel": [
    {
      "@value": "Methyl 3,7-diacetoxy-12-hydroxycholan-24-oate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Cholic acid, methyl ester, 3,7-diacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Methyl 3,7-di-<em>O</em>-acetylcholate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C29H46O7",
        "C4H6N2O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458",
          "CID:566830",
          "CID:620186"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VKXXPYARELKQOY-CXFLVZIOSA-N",
        "VKXXPYARELKQOY-UHFFFAOYSA-N",
        "ZOMATQMEHRJKLO-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458",
          "CID:566830",
          "CID:620186"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CN=C(N1)CO",
        "CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)O)C",
        "C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)O)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458",
          "CID:566830",
          "CID:620186"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3",
        "InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1",
        "InChI=1S/C4H6N2O/c7-3-4-5-1-2-6-4/h1-2,7H,3H2,(H,5,6)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458",
          "CID:566830",
          "CID:620186"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester",
        "(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester",
        "1H-imidazol-2-ylmethanol",
        "4-(3,7-diacetoxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester",
        "4-(3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester",
        "methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",
        "methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",
        "methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",
        "methyl 4-(3,7-diacetoxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate",
        "methyl 4-(3,7-diacetyloxy-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate",
        "methyl 4-(3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458",
          "CID:566830",
          "CID:620186"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J100.708D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:566830;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J28.126C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.021.047",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.229.024",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:566830;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=3724-26-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:566830;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=3749-87-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID30340729",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:566830;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID80958595",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YCR52U8KSM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/107458",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[3749-87-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/566830",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:566830;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[3749-87-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/620186",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:620186;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[3749-87-9]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL204578",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126610123",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:620186;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27458557",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:566830;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82939120",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:107458;CAS:3749-87-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3749-87-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "039208b4-f925-4713-980b-b374062b3113",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "3749-87-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=3749-87-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "223-151-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=223-151-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}