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CHEBI:212993 - Pinophilin D

ChEBI IDCHEBI:212993
ChEBI NamePinophilin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(C=CCO)OC[C@H]2[C@@H]1O
InChIInChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-4,6-9,15,19,22-24,26H,5,10H2,1-2H3/t15-,19+,21-/m1/s1
InChIKeyIBOLUJUHKDADNQ-MFMILTCTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26291474)
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 D (CHEBI:212993) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S,8S,8aS)-8-hydroxy-3-(3-hydroxyprop-1-enyl)-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78441122ChemSpider