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CHEBI:209727 - Oxopestalochromane

ChEBI IDCHEBI:209727
ChEBI NameOxopestalochromane
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O6
Net Charge0
Average Mass264.233
Monoisotopic Mass264.06339
SMILESC=C1c2c(C=O)c(O)c(C)c(O)c2C(=O)O[C@@H]1CO
InChIInChI=1S/C13H12O6/c1-5-8(4-15)19-13(18)10-9(5)7(3-14)11(16)6(2)12(10)17/h3,8,15-17H,1,4H2,2H3/t8-/m1/s1
InChIKeyRXRBOGXHNSIECJ-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (31033302)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Oxopestalochromane (CHEBI:209727) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S)-6,8-dihydroxy-3-(hydroxymethyl)-7-methyl-4-methylidene-1-oxoisochromene-5-carbaldehyde