EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198638 - Pestaphthalide B

ChEBI IDCHEBI:198638
ChEBI NamePestaphthalide B
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-RRAGMBSWSA-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 B (CHEBI:198638) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-5,7-dihydroxy-3-[(1S)-1-hydroxyethyl]-6-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
23340874ChemSpider