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CHEBI:48707 - (−)-citrinin

ChEBI IDCHEBI:48707
ChEBI Name(−)-citrinin
Stars
ASCII Name(-)-citrinin
Last Modified26 May 2015
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-/m1/s1
InChIKeyCQIUKKVOEOPUDV-IYSWYEEDSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (21053938) Penicillium species isolated from a seaweed caulerpa sp. Strain: F53
Roles Classification
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
(−)-citrinin (CHEBI:48707) has role Penicillium metabolite (CHEBI:76964)
(−)-citrinin (CHEBI:48707) is a citrinin (CHEBI:48708)
(−)-citrinin (CHEBI:48707) is enantiomer of (+)-citrinin (CHEBI:48712)
Incoming Relation(s)
(+)-citrinin (CHEBI:48712) is enantiomer of (−)-citrinin (CHEBI:48707)
IUPAC Name 
(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Synonyms  Source
citrininChemIDplus
(3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acidNIST Chemistry WebBook
(3R,4S)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acidNIST Chemistry WebBook
Manual XrefsDatabases
C00029979KNApSAcK
C16765KEGG COMPOUND
Registry NumbersSources
Beilstein:88597Beilstein
Beilstein:5282243Beilstein
CAS:518-75-2NIST Chemistry WebBook
CAS:518-75-2KEGG COMPOUND