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CHEBI:204197 - Pinophilin A

ChEBI IDCHEBI:204197
ChEBI NamePinophilin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
InChIKeyJCQWLKQBYHSHOG-DAYKGMGPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (22264170)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Pinophilin A (CHEBI:204197) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
28502708ChemSpider