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6'-methoxycinchonan-9-ol Sulfate (salt)

Flow Object IDfo-a06b8c1a6f7975f3
TypeConsensus
prefLabel
Label Language
6'-methoxycinchonan-9-ol Sulfate (salt) en
Alt Labels
Label Language Provenance
Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) en
Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt) en
Quinine bisulfate en
Quinine hydrogen sulfate en
Quinine, sulfate (1:1) (salt) en
CAS Numbers549-56-4
EC Numbers208-970-9
Changes Applied26

Properties

Predicate Value
InChIKey AKYHKWQPZHDOBW-DSXUQNDKSA-N, AKYHKWQPZHDOBW-ONYPXIKLSA-N, AKYHKWQPZHDOBW-UHFFFAOYSA-N, QRINDWCWGOHSTN-FTCXZRKKSA-N, RONWGALEIBILOG-VMJVVOMYSA-N
InChI InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1, InChI=1S/C20H24N2O2.2H2O4S.7H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*1-5(2,3)4;;;;;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*(H2,1,2,3,4);7*1H2/t13-,14-,19-,20+;;;;;;;;;/m0........./s1, InChI=1S/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4), InChI=1S/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t13-,14+,19+,20+;/m0./s1, InChI=1S/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t13-,14-,19-,20+;/m0./s1
IUPAC name (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol;sulfuric acid, (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;sulfuric acid, (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol;sulfuric acid, (R)-(6-methoxy-4-quinolyl)-[(2R,4R,5R)-5-vinylquinuclidin-2-yl]methanol;sulfuric acid, (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;sulfuric acid, (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;sulfuric acid;heptahydrate, (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;sulfuric acid, (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;sulfuric acid, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;sulfuric acid;heptahydrate, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;heptahydrate, bis((R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol);sulfuric acid, bis((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol);sulfuric acid, bis((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid
Molecular formula C20H26N2O6S, C20H42N2O17S2, C40H50N4O8S
SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.O.O.O.O.O.OS(=O)(=O)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.O.O.O.O.O.OS(=O)(=O)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@H]3C[C@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
11d13b97… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
f348d817… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
5dfbba7c… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
44f3fda4… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
c6b78d12… EF 3.1 kg Environmental → Air → Unknown 2 2
dfcc2659… EF 3.1 kg Environmental → Air → Unknown 2 2
abb8da66… EF 3.1 kg Environmental → Ground → Agricultural 2 2
8d25d56e… EF 3.1 kg Environmental → Ground → Unknown 2 2
f8368d61… EF 3.1 kg Environmental → Water → Ocean 2 2
8234a6be… EF 3.1 kg Environmental → Water → Surface water 2 2
00f96850… EF 3.1 kg Environmental → Water → Unknown 2 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
00f96850… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
00f96850… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
11d13b97… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
11d13b97… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
44f3fda4… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
44f3fda4… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
5dfbba7c… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
5dfbba7c… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
8234a6be… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
8234a6be… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
8d25d56e… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
8d25d56e… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
abb8da66… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
abb8da66… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
c6b78d12… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
c6b78d12… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
dfcc2659… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
dfcc2659… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
e3e8b2ea… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
e3e8b2ea… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
e9c11b90… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
e9c11b90… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
f348d817… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
f348d817… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}
f8368d61… altLabel [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine bisulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine hydrogen sulfate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinine, sulfate (1:1) (salt)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:549-56-4","https://commonchemistry.cas.org/detail?cas_rn=549-56-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
f8368d61… cas_match_labels {"549-56-4":"exactMatch"} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-a06b8c1a6f7975f3",
  "prefLabel": [
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  ],
  "altLabel": [
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      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "altLabel"
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    },
    {
      "@value": "Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "altLabel"
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    },
    {
      "@value": "Quinine bisulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Quinine hydrogen sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
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        "prov:wasDerivedFrom": "altLabel"
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C20H26N2O6S",
        "C20H42N2O17S2",
        "C40H50N4O8S"
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      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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        "QRINDWCWGOHSTN-FTCXZRKKSA-N",
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      "rdfs:label": "InChIKey",
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