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CHEBI:48712 - (+)-citrinin

ChEBI IDCHEBI:48712
ChEBI Name(+)-citrinin
Stars
Last Modified2 December 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCC1=C2C(=CO[C@@H](C)[C@@H]2C)C(O)=C(C(=O)O)C1=O
InChIInChI=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
InChIKeyCQIUKKVOEOPUDV-FSPLSTOPSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-citrinin (CHEBI:48712) is a citrinin (CHEBI:48708)
(+)-citrinin (CHEBI:48712) is enantiomer of (−)-citrinin (CHEBI:48707)
Incoming Relation(s)
(−)-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 acidNIST Chemistry WebBook
Registry NumbersSources
Beilstein:88598Beilstein
CAS:112245-94-0NIST Chemistry WebBook