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Enoxolone

UUID 41ff1c72-83be-445d-a7b3-26099490dee9
Flow Object IDfo-305eae1601d2c7c2
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 471-53-4
EC Numbers 207-444-6
prefLabel
Language Value Provenance
en Enoxolone
altLabel
Language Value Provenance
en 18beta-glycyrrhetic acid
en 3beta-hydroxy-11-oxoolean-12-en-30-oate
en 3beta-hydroxy-11-oxoolean-12-en-30-oic acid
en Glycyrrhetinate
en Glycyrrhetinic acid
en (3β,20β)-3-Hydroxy-11-oxoolean-12-en-29-oic acid
en 18β-Glycyrrhetic acid
en 18β-Glycyrrhetinic acid
en Arthrodont
en Biosone
en GM 1658
en Glycyrrhetic acid
en Glycyrrhetin
en MeSH ID: D006034
en NSC 35347
en Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3β,20β)-
en Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-
en PO 12
en STX 352
en Subglycyrrhelinic acid
en Uralenic acid
en α-Glycyrrhetinic acid
Definitions
Language Value Provenance
en A pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30.
References
Shared Properties
Predicate Value
Formal charge -1, 0
InChIKey MPDGHEJMBKOTSU-YKLVYJNSSA-M, MPDGHEJMBKOTSU-YKLVYJNSSA-N
InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/p-1/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1, InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
IUPAC name (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Molecular formula C30H45O4, C30H45O4-, C30H46O4
Molecular mass 469.686, 470.694
Monoisotopic mass 469.33233, 470.33961
SMILES CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C, CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C, C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O, C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)[O-], [H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C, [H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 41ff1c72-83be-445d-a7b3-26099490dee9 enoxolone

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 enoxolone Emissions/Emissions to water/Emissions to fresh water kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=enoxolone||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=471-53-4; added Common Chemistry CAS names as altLabel: (3β,20β)-3-Hydroxy-11-oxoolean-12-en-29-oic acid, 18β-Glycyrrhetic acid, 18β-Glycyrrhetinic acid, Arthrodont, Biosone, GM 1658, Glycyrrhetic acid, Glycyrrhetin, MeSH ID: D006034, NSC 35347, Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3β,20β)-, Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, PO 12, STX 352, Subglycyrrhelinic acid, Uralenic acid, α-Glycyrrhetinic acid; object_uuid=fo-305eae1601d2c7c2
cas_match_labels 1 consensus_match group_key=enoxolone||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'471-53-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-305eae1601d2c7c2: {'471-53-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '18beta-glycyrrhetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:18beta-glycyrrhetic acid', 'http://purl.obolibrary.org/obo/CHEBI_30853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3beta-hydroxy-11-oxoolean-12-en-30-oate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3beta-hydroxy-11-oxoolean-12-en-30-oate', 'http://purl.obolibrary.org/obo/CHEBI_17573', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3beta-hydroxy-11-oxoolean-12-en-30-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3beta-hydroxy-11-oxoolean-12-en-30-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_30853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glycyrrhetinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glycyrrhetinate', 'http://purl.obolibrary.org/obo/CHEBI_17573', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glycyrrhetinic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glycyrrhetinic acid', 'http://purl.obolibrary.org/obo/CHEBI_30853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '18beta-glycyrrhetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:18beta-glycyrrhetic acid', 'http://purl.obolibrary.org/obo/CHEBI_30853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3beta-hydroxy-11-oxoolean-12-en-30-oate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3beta-hydroxy-11-oxoolean-12-en-30-oate', 'http://purl.obolibrary.org/obo/CHEBI_17573', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3beta-hydroxy-11-oxoolean-12-en-30-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3beta-hydroxy-11-oxoolean-12-en-30-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_30853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glycyrrhetinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glycyrrhetinate', 'http://purl.obolibrary.org/obo/CHEBI_17573', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glycyrrhetinic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glycyrrhetinic acid', 'http://purl.obolibrary.org/obo/CHEBI_30853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3β,20β)-3-Hydroxy-11-oxoolean-12-en-29-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '18β-Glycyrrhetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '18β-Glycyrrhetinic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Arthrodont', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Biosone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'GM 1658', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glycyrrhetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glycyrrhetin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D006034', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 35347', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3β,20β)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PO 12', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'STX 352', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Subglycyrrhelinic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Uralenic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Glycyrrhetinic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:471-53-4', 'https://commonchemistry.cas.org/detail?cas_rn=471-53-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=enoxolone||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=471-53-4; added Common Chemistry CAS names as altLabel: (3β,20β)-3-Hydroxy-11-oxoolean-12-en-29-oic acid, 18β-Glycyrrhetic acid, 18β-Glycyrrhetinic acid, Arthrodont, Biosone, GM 1658, Glycyrrhetic acid, Glycyrrhetin, MeSH ID: D006034, NSC 35347, Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3β,20β)-, Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, PO 12, STX 352, Subglycyrrhelinic acid, Uralenic acid, α-Glycyrrhetinic acid; object_uuid=fo-305eae1601d2c7c2
cas_match_labels None {'471-53-4': 'exactMatch'} group_key=enoxolone||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'471-53-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-305eae1601d2c7c2: {'471-53-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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