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CHEBI:227637 - Penicilliumolide B

ChEBI IDCHEBI:227637
ChEBI NamePenicilliumolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCOC1=C[C@](C)(O)c2c(oc(=O)c3c(O)cc(OC)cc23)C1=O
InChIInChI=1S/C16H14O7/c1-16(20)6-10(22-3)13(18)14-12(16)8-4-7(21-2)5-9(17)11(8)15(19)23-14/h4-6,17,20H,1-3H3/t16-/m0/s1
InChIKeySQYQKNYDKWKXCV-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Penicillium chermesinum (ncbitaxon:63820) - DOI (10.1039/c5ra13735g)
ChEBI Ontology
Outgoing Relation(s)
Penicilliumolide B (CHEBI:227637) is a isocoumarins (CHEBI:38758)
IUPAC Name 
(1S)-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
Manual XrefsDatabases
40256868ChemSpider