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CHEBI:190901 - (3,4,5-trihydroxyoxan-2-yl) 3,4-dihydroxybenzoate

ChEBI IDCHEBI:190901
ChEBI Name(3,4,5-trihydroxyoxan-2-yl) 3,4-dihydroxybenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O8
Net Charge0
Average Mass286.236
Monoisotopic Mass286.06887
SMILESO=C(OC1OCC(O)C(O)C1O)c1ccc(O)c(O)c1
InChIInChI=1S/C12H14O8/c13-6-2-1-5(3-7(6)14)11(18)20-12-10(17)9(16)8(15)4-19-12/h1-3,8-10,12-17H,4H2
InChIKeyVWQASRWQZBVNEI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
(3,4,5-trihydroxyoxan-2-yl) 3,4-dihydroxybenzoate (CHEBI:190901) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
(3,4,5-trihydroxyoxan-2-yl) 3,4-dihydroxybenzoate
Manual XrefsDatabases
HMDB0041272HMDB
26502885ChemSpider