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Citrinin

UUID 654a3951-2ea4-46e0-afc7-cf5898e21462
Flow Object IDfo-b54c1e30303656c1
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 518-75-2
EC Numbers 208-257-2
prefLabel
Language Value Provenance
en Citrinin
altLabel ⓘ
Language Value Provenance
en (3R,4S)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
en (3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
en (3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
en (-)-Citrinin
en (3<em>R</em>,4<em>S</em>)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3<em>H</em>-2-benzopyran-7-carboxylic acid
en 3<em>H</em>-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3<em>R</em>,4<em>S</em>)-
en 3<em>H</em>-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3<em>R</em>-<em>trans</em>)-
en 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3<em>H</em>-2-benzopyran-7-carboxylic acid
en MeSH ID: D002953
en NSC 186
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey CBGDIJWINPWWJW-IYSWYEEDSA-N, CQIUKKVOEOPUDV-IYSWYEEDSA-N
InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1, InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
IUPAC name (3R,4S)-3,4,5-trimethyl-6-oxidanyl-8-oxidanylidene-3,4-dihydroisochromene-7-carboxylic acid, (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid, (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid, (3R,4S)-6-hydroxy-8-keto-3,4,5-trimethyl-3,4-dihydroisochromene-7-carboxylic acid
Molecular formula C13H14O5
Molecular mass 250.25
Monoisotopic mass 250.08412
SMILES CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(=O)O)C1=O, CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C, C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 654a3951-2ea4-46e0-afc7-cf5898e21462 citrinin

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 citrinin Emissions/Emissions to air/Emissions to air, indoor 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=citrinin||dimension=Environmental > media=Ground > geography=Agricultural; cas=518-75-2; added Common Chemistry CAS names as altLabel: (-)-Citrinin, (3<em>R</em>,4<em>S</em>)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3<em>H</em>-2-benzopyran-7-carboxylic acid, 3<em>H</em>-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3<em>R</em>,4<em>S</em>)-, 3<em>H</em>-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3<em>R</em>-<em>trans</em>)-, 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3<em>H</em>-2-benzopyran-7-carboxylic acid, MeSH ID: D002953, NSC 186; object_uuid=fo-b54c1e30303656c1
cas_match_labels 1 — consensus_match group_key=citrinin||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'518-75-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b54c1e30303656c1: {'518-75-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(3R,4S)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R,4S)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_48707', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_48707', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_48707', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(3R,4S)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R,4S)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_48707', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_48707', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_48707', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-Citrinin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:518-75-2', 'https://commonchemistry.cas.org/detail?cas_rn=518-75-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(3<em>R</em>,4<em>S</em>)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3<em>H</em>-2-benzopyran-7-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:518-75-2', 'https://commonchemistry.cas.org/detail?cas_rn=518-75-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3<em>H</em>-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3<em>R</em>,4<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:518-75-2', 'https://commonchemistry.cas.org/detail?cas_rn=518-75-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3<em>H</em>-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3<em>R</em>-<em>trans</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:518-75-2', 'https://commonchemistry.cas.org/detail?cas_rn=518-75-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3<em>H</em>-2-benzopyran-7-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:518-75-2', 'https://commonchemistry.cas.org/detail?cas_rn=518-75-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D002953', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:518-75-2', 'https://commonchemistry.cas.org/detail?cas_rn=518-75-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 186', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:518-75-2', 'https://commonchemistry.cas.org/detail?cas_rn=518-75-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=citrinin||dimension=Environmental > media=Ground > geography=Agricultural; cas=518-75-2; added Common Chemistry CAS names as altLabel: (-)-Citrinin, (3<em>R</em>,4<em>S</em>)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3<em>H</em>-2-benzopyran-7-carboxylic acid, 3<em>H</em>-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3<em>R</em>,4<em>S</em>)-, 3<em>H</em>-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3<em>R</em>-<em>trans</em>)-, 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3<em>H</em>-2-benzopyran-7-carboxylic acid, MeSH ID: D002953, NSC 186; object_uuid=fo-b54c1e30303656c1
cas_match_labels None {'518-75-2': 'exactMatch'} group_key=citrinin||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'518-75-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b54c1e30303656c1: {'518-75-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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