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CHEBI:168203 - 3,4,5-trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:168203
ChEBI Name3,4,5-trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O9
Net Charge0
Average Mass316.262
Monoisotopic Mass316.07943
SMILESCOc1cccc(O)c1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C13H16O9/c1-20-6-4-2-3-5(14)10(6)21-13-9(17)7(15)8(16)11(22-13)12(18)19/h2-4,7-9,11,13-17H,1H3,(H,18,19)
InChIKeyWIRBFTWUCRQZDH-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-6-methoxyphenoxy)oxane-2-carboxylic acid (CHEBI:168203) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128037HMDB