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CHEBI:224375 - Pinazaphilone A

ChEBI IDCHEBI:224375
ChEBI NamePinazaphilone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O9
Net Charge0
Average Mass416.382
Monoisotopic Mass416.11073
SMILESCc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C2=C(C=C(/C=C/C(=O)O)OC2)C[C@H]1O
InChIInChI=1S/C21H20O9/c1-10-5-12(22)8-15(23)18(10)20(28)30-21(2)16(24)7-11-6-13(3-4-17(25)26)29-9-14(11)19(21)27/h3-6,8,16,22-24H,7,9H2,1-2H3,(H,25,26)/b4-3+/t16-,21+/m1/s1
InChIKeyQPTACLRMSGFDEE-DMDWLKPBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26230970)
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)
Pinazaphilone A (CHEBI:224375) is a azaphilone (CHEBI:50941)
IUPAC Name 
(E)-3-[(6R,7S)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-6-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-3-yl]prop-2-enoic acid
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