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Difenacoum

UUID 8c08fc36-f8bd-469f-b713-e675649e50e4
Flow Object IDfo-a19c44773fe99c3a
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 56073-07-5
EC Numbers 259-978-4
prefLabel ⓘ
Language Value Provenance
en Difenacoum
altLabel ⓘ
Language Value Provenance
en 2<em>H</em>-1-Benzopyran-2-one, 3-(3-[1,1′-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-
en 3-(3-[1,1′-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2<em>H</em>-1-benzopyran-2-one
en Diphenacoum
en Neosorexa
en Ratak
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey FVQITOLOYMWVFU-UHFFFAOYSA-N
InChI InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2
IUPAC name 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzopyran-2-one, 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one, 4-hydroxy-3-[3-(4-phenylphenyl)tetralin-1-yl]chromen-2-one, 4-hydroxy-3-[3-(4-phenylphenyl)tetralin-1-yl]coumarin, 4-oxidanyl-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
Molecular formula C31H24O3
Molecular mass 444.53
Monoisotopic mass 444.17254
SMILES C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6, O=c1oc2ccccc2c(O)c1C1CC(c2ccc(-c3ccccc3)cc2)Cc2ccccc21

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8c08fc36-f8bd-469f-b713-e675649e50e4 3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin Emissions/Emissions to water/Emissions to water, 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=3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=56073-07-5; added Common Chemistry CAS names as altLabel: 2<em>H</em>-1-Benzopyran-2-one, 3-(3-[1,1′-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-, 3-(3-[1,1′-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2<em>H</em>-1-benzopyran-2-one, Diphenacoum, Neosorexa, Ratak; object_uuid=fo-a19c44773fe99c3a
cas_match_labels 1 — consensus_match group_key=3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'56073-07-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a19c44773fe99c3a: {'56073-07-5': 'exactMatch'}
prefLabel 1 — consensus_match cas=56073-07-5; cc_chebi_agreed_name='Difenacoum'; object_uuid=fo-a19c44773fe99c3a

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
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altLabel None [{'@value': '3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin', '@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=56073-07-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-a19c44773fe99c3a
altLabel [{'@value': '3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin', '@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': '2<em>H</em>-1-Benzopyran-2-one, 3-(3-[1,1′-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56073-07-5', 'https://commonchemistry.cas.org/detail?cas_rn=56073-07-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3-[1,1′-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2<em>H</em>-1-benzopyran-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56073-07-5', 'https://commonchemistry.cas.org/detail?cas_rn=56073-07-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diphenacoum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56073-07-5', 'https://commonchemistry.cas.org/detail?cas_rn=56073-07-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neosorexa', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56073-07-5', 'https://commonchemistry.cas.org/detail?cas_rn=56073-07-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ratak', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56073-07-5', 'https://commonchemistry.cas.org/detail?cas_rn=56073-07-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=56073-07-5; added Common Chemistry CAS names as altLabel: 2<em>H</em>-1-Benzopyran-2-one, 3-(3-[1,1′-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-, 3-(3-[1,1′-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2<em>H</em>-1-benzopyran-2-one, Diphenacoum, Neosorexa, Ratak; object_uuid=fo-a19c44773fe99c3a
cas_match_labels None {'56073-07-5': 'exactMatch'} group_key=3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'56073-07-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a19c44773fe99c3a: {'56073-07-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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