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CHEBI:204284 - Pestaphthalide A

ChEBI IDCHEBI:204284
ChEBI NamePestaphthalide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCc1c(O)cc2c(c1O)C(=O)O[C@@H]2[C@H](C)O
InChIInChI=1S/C11H12O5/c1-4-7(13)3-6-8(9(4)14)11(15)16-10(6)5(2)12/h3,5,10,12-14H,1-2H3/t5-,10+/m0/s1
InChIKeyGRSVIXWYIHCOGF-XUOSJQGZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (18288805)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pestaphthalide A (CHEBI:204284) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S)-5,7-dihydroxy-3-[(1S)-1-hydroxyethyl]-6-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
23340873ChemSpider