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CHEBI:203571 - Pinazaphilone B

ChEBI IDCHEBI:203571
ChEBI NamePinazaphilone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O9
Net Charge0
Average Mass416.382
Monoisotopic Mass416.11073
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(C=CC(=O)O)=CC2=CC(=O)[C@]1(C)O
InChIInChI=1S/C21H20O9/c1-10-5-12(22)8-15(23)18(10)20(27)30-19-14-9-29-13(3-4-17(25)26)6-11(14)7-16(24)21(19,2)28/h3-8,14,19,22-23,28H,9H2,1-2H3,(H,25,26)/t14-,19+,21+/m1/s1
InChIKeyZDFHVFVPRFCIRZ-RFVSGWPVSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies HN29-3B1 (ncbitaxon:1426912) - PubMed (26230970)
ChEBI Ontology
Outgoing Relation(s)
Pinazaphilone B (CHEBI:203571) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
3-[(7R,8S,8aS)-8-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-3-yl]prop-2-enoic acid
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78437030ChemSpider