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CHEBI:168461 - 3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:168461
ChEBI Name3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O9
Net Charge0
Average Mass316.262
Monoisotopic Mass316.07943
SMILESCOc1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1O
InChIInChI=1S/C13H16O9/c1-20-5-3-2-4-6(7(5)14)21-13-10(17)8(15)9(16)11(22-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)
InChIKeyZCXVNAUYGLECEF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid (CHEBI:168461) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128036HMDB