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CHEBI:213202 - Penicitrinol O

ChEBI IDCHEBI:213202
ChEBI NamePenicitrinol O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESCc1c(O)c(C(=O)O)c2c3c1[C@H](C)[C@@H](C)O[C@@H]3[C@@H]1CCCC[C@]1(O)O2
InChIInChI=1S/C19H24O6/c1-8-10(3)24-16-11-6-4-5-7-19(11,23)25-17-13(16)12(8)9(2)15(20)14(17)18(21)22/h8,10-11,16,20,23H,4-7H2,1-3H3,(H,21,22)/t8-,10-,11+,16-,19+/m1/s1
InChIKeyWDZMWLSFPVXCCB-ZOAWFOMISA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - DOI (10.3987/com-15-13178)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinol O (CHEBI:213202) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,2S,7S,14S,15R)-7,11-dihydroxy-12,14,15-trimethyl-8,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-9(17),10,12-triene-10-carboxylic acid
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35516658ChemSpider