Citrinin

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UUID 4d9a8790-3ddd-11dd-8cda-0050c2490048

Flow Object ID fo-b54c1e30303656c1

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

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	`4d9a8790-3ddd-11dd-8cda-0050c2490048`	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, unspecified (long-term)	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

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

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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