CHEBI:209727 - Oxopestalochromane

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ChEBI Name Oxopestalochromane
ChEBI ID CHEBI:209727
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H12O6
Net Charge 0
Average Mass 264.233
Monoisotopic Mass 264.06339
InChI InChI=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
InChIKey RXRBOGXHNSIECJ-MRVPVSSYSA-N
SMILES O=C1O[C@@H](C(=C)C=2C1=C(O)C(=C(O)C2C=O)C)CO
Metabolite of Species Details
Pestalotiopsisspecies (NCBI:txid36460) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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