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CHEBI:216745 - (4S)-(+)-Ascochin

ChEBI IDCHEBI:216745
ChEBI Name(4S)-(+)-Ascochin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10O5
Net Charge0
Average Mass234.207
Monoisotopic Mass234.05282
SMILESC=C1OC(=O)c2c(O)cc(O)c(C=O)c2[C@@H]1C
InChIInChI=1S/C12H10O5/c1-5-6(2)17-12(16)11-9(15)3-8(14)7(4-13)10(5)11/h3-5,14-15H,2H2,1H3/t5-/m1/s1
InChIKeyXLKIJHXPWYIGIM-RXMQYKEDSA-N
Species of MetaboliteComponentSourceComments
Ascochyta (ncbitaxon:5453) - PubMed (25855820)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(4S)-(+)-Ascochin (CHEBI:216745) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(4S)-6,8-dihydroxy-4-methyl-3-methylidene-1-oxo-4H-isochromene-5-carbaldehyde
Manual XrefsDatabases
17272145ChemSpider