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CHEBI:212699 - Clearanol J

ChEBI IDCHEBI:212699
ChEBI NameClearanol J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O6
Net Charge0
Average Mass254.238
Monoisotopic Mass254.07904
SMILESCc1c(O)cc(O)c2c1[C@@](C)(O)[C@H](CO)OC2=O
InChIInChI=1S/C12H14O6/c1-5-6(14)3-7(15)9-10(5)12(2,17)8(4-13)18-11(9)16/h3,8,13-15,17H,4H2,1-2H3/t8-,12-/m0/s1
InChIKeyAMIBGNGDZAYRNZ-UFBFGSQYSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeria (ncbitaxon:5021) - PubMed (28661451)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Clearanol J (CHEBI:212699) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S,4R)-4,6,8-trihydroxy-3-(hydroxymethyl)-4,5-dimethyl-3H-isochromen-1-one
Manual XrefsDatabases
62233316ChemSpider