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CHEBI:227896 - Penicilliumolide C

ChEBI IDCHEBI:227896
ChEBI NamePenicilliumolide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15ClO7
Net Charge0
Average Mass354.742
Monoisotopic Mass354.05063
SMILESCOC1=C(Cl)[C@](C)(O)c2c(oc(=O)c3c(O)cc(OC)cc23)C1O
InChIInChI=1S/C16H15ClO7/c1-16(21)10-7-4-6(22-2)5-8(18)9(7)15(20)24-12(10)11(19)13(23-3)14(16)17/h4-5,11,18-19,21H,1-3H3/t11?,16-/m1/s1
InChIKeyRRATUCVZOVTFHL-WVQRXBFSSA-N
Species of MetaboliteComponentSourceComments
Rhizopycnis (ncbitaxon:66822) - PubMed (27441892)
ChEBI Ontology
Outgoing Relation(s)
Penicilliumolide C (CHEBI:227896) is a isocoumarins (CHEBI:38758)
IUPAC Name 
(1R)-2-chloro-1,4,7-trihydroxy-3,9-dimethoxy-1-methyl-4H-benzo[c]chromen-6-one
Manual XrefsDatabases
40256869ChemSpider