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CHEBI:220469 - Penicitrinol C

ChEBI IDCHEBI:220469
ChEBI NamePenicitrinol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESCC(=O)C[C@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)cc(O)c21
InChIInChI=1S/C15H20O4/c1-7(16)5-13-15-12(18)6-11(17)9(3)14(15)8(2)10(4)19-13/h6,8,10,13,17-18H,5H2,1-4H3/t8-,10-,13-/m1/s1
InChIKeyKQJUPJPMSHSUKV-ZDSQKVDBSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (21467687)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinol C (CHEBI:220469) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
1-[(1R,3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromen-1-yl]propan-2-one
Manual XrefsDatabases
28185106ChemSpider