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Gestonorone

UUID 1dbc7e29-6125-4d5c-a228-8640e7127720
Flow Object IDfo-85d237d78c773f45
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 2137-18-0
EC Numbers 218-378-2
prefLabel
Language Value Provenance
en Gestonorone
altLabel
Language Value Provenance
en 17-Hydroxy-19-norpregn-4-ene-3,20-dione
en 17α-17-Acetyl-17-hydroxyestr-4-en-3-one
en 17α-Hydroxy-19-norpregn-4-en-3,20-dione
en 17α-Hydroxy-19-norpregn-4-ene-3,20-dione
en 17α-Hydroxy-19-norprogesterone
en 17β-Acetyl-17α-hydroxyestr-4-en-3-one
en 19-Norpregn-4-en-3,20-dione-17α-ol
en 19-Norpregn-4-ene-3,20-dione, 17-hydroxy-
en Gestronol
en TX 045
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey GTFUITFQDGVJSK-XGXHKTLJSA-N
InChI InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
IUPAC name (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one, (8R,9S,10R,13S,14S,17R)-17-ethanoyl-13-methyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular formula C20H28O3
Molecular mass 316.441
Monoisotopic mass 316.20384
SMILES CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)O, CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O, [H][C@@]12CCC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1dbc7e29-6125-4d5c-a228-8640e7127720 17-acetyl-17-hydroxyestr-4-en-3-one

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 17-acetyl-17-hydroxyestr-4-en-3-one Emissions/Emissions to air/Emissions to air, unspecified kg exactMatch

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 consensus_match group_key=17-acetyl-17-hydroxyestr-4-en-3-one||dimension=Environmental > media=Water > water_body=Ocean; cas=2137-18-0; added Common Chemistry CAS names as altLabel: 17-Hydroxy-19-norpregn-4-ene-3,20-dione, 17α-17-Acetyl-17-hydroxyestr-4-en-3-one, 17α-Hydroxy-19-norpregn-4-en-3,20-dione, 17α-Hydroxy-19-norpregn-4-ene-3,20-dione, 17α-Hydroxy-19-norprogesterone, 17β-Acetyl-17α-hydroxyestr-4-en-3-one, 19-Norpregn-4-en-3,20-dione-17α-ol, 19-Norpregn-4-ene-3,20-dione, 17-hydroxy-, Gestronol, TX 045; object_uuid=fo-85d237d78c773f45
cas_match_labels 1 consensus_match group_key=17-acetyl-17-hydroxyestr-4-en-3-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory']; cas_sources={'2137-18-0': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-85d237d78c773f45: {'2137-18-0': 'exactMatch'}
prefLabel 1 consensus_match cas=2137-18-0; cc_chebi_agreed_name='Gestonorone'; object_uuid=fo-85d237d78c773f45

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '17-acetyl-17-hydroxyestr-4-en-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Gestonorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=2137-18-0; cc_chebi_agreed_name='Gestonorone'; object_uuid=fo-85d237d78c773f45
altLabel None [{'@value': '17-acetyl-17-hydroxyestr-4-en-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=2137-18-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-85d237d78c773f45
altLabel [{'@value': '17-acetyl-17-hydroxyestr-4-en-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '17-Hydroxy-19-norpregn-4-ene-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17α-17-Acetyl-17-hydroxyestr-4-en-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17α-Hydroxy-19-norpregn-4-en-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17α-Hydroxy-19-norpregn-4-ene-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17α-Hydroxy-19-norprogesterone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17β-Acetyl-17α-hydroxyestr-4-en-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '19-Norpregn-4-en-3,20-dione-17α-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '19-Norpregn-4-ene-3,20-dione, 17-hydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Gestronol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TX 045', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2137-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=2137-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=17-acetyl-17-hydroxyestr-4-en-3-one||dimension=Environmental > media=Water > water_body=Ocean; cas=2137-18-0; added Common Chemistry CAS names as altLabel: 17-Hydroxy-19-norpregn-4-ene-3,20-dione, 17α-17-Acetyl-17-hydroxyestr-4-en-3-one, 17α-Hydroxy-19-norpregn-4-en-3,20-dione, 17α-Hydroxy-19-norpregn-4-ene-3,20-dione, 17α-Hydroxy-19-norprogesterone, 17β-Acetyl-17α-hydroxyestr-4-en-3-one, 19-Norpregn-4-en-3,20-dione-17α-ol, 19-Norpregn-4-ene-3,20-dione, 17-hydroxy-, Gestronol, TX 045; object_uuid=fo-85d237d78c773f45
cas_match_labels None {'2137-18-0': 'exactMatch'} group_key=17-acetyl-17-hydroxyestr-4-en-3-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory']; cas_sources={'2137-18-0': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-85d237d78c773f45: {'2137-18-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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