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CHEBI:226588 - Pulvilloric acid

ChEBI IDCHEBI:226588
ChEBI NamePulvilloric acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESCCCCC[C@H]1CC2=CC(=O)C(C(=O)O)=C(O)C2=CO1
InChIInChI=1S/C15H18O5/c1-2-3-4-5-10-6-9-7-12(16)13(15(18)19)14(17)11(9)8-20-10/h7-8,10,17H,2-6H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyKPYJKXACXGIDBE-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Penicillium pulvillorum (ncbitaxon:104261) - DOI (10.1039/j39660001608)
ChEBI Ontology
Outgoing Relation(s)
Pulvilloric acid (CHEBI:226588) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3S)-8-hydroxy-6-oxo-3-pentyl-3,4-dihydroisochromene-7-carboxylic acid
Manual XrefsDatabases
78442415ChemSpider