CHEBI:48712 - (+)-citrinin

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ChEBI Name (+)-citrinin
ChEBI ID CHEBI:48712
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H14O5
Net Charge 0
Average Mass 250.24726
Monoisotopic Mass 250.08412
InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m0/s1
InChIKey CQIUKKVOEOPUDV-FSPLSTOPSA-N
SMILES C[C@@H]1OC=C2C(O)=C(C(O)=O)C(=O)C(C)=C2[C@H]1C
ChEBI Ontology
Outgoing (+)-citrinin (CHEBI:48712) is a citrinin (CHEBI:48708)
(+)-citrinin (CHEBI:48712) is enantiomer of (−)-citrinin (CHEBI:48707)
Incoming (−)-citrinin (CHEBI:48707) is enantiomer of (+)-citrinin (CHEBI:48712)
IUPAC Name
(3S,4R)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Synonym Source
(3S-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid NIST Chemistry WebBook
Registry Numbers Types Sources
112245-94-0 CAS Registry Number NIST Chemistry WebBook
88598 Beilstein Registry Number Beilstein
Last Modified
02 December 2009