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CHEBI:206402 - Penicillisocoumarin A

ChEBI IDCHEBI:206402
ChEBI NamePenicillisocoumarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESCC(=O)CCC[C@H]1Cc2c(O)ccc(O)c2C(=O)O1
InChIInChI=1S/C14H16O5/c1-8(15)3-2-4-9-7-10-11(16)5-6-12(17)13(10)14(18)19-9/h5-6,9,16-17H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyLWHJBOUADCHVAV-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28698959)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penicillisocoumarin A (CHEBI:206402) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S)-5,8-dihydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
63002608ChemSpider