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CHEBI:168070 - 3,4,5-trihydroxy-6-{[3-(4-hydroxy-3-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:168070
ChEBI Name3,4,5-trihydroxy-6-{[3-(4-hydroxy-3-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O10
Net Charge0
Average Mass372.326
Monoisotopic Mass372.10565
SMILESCOc1cc(CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C16H20O10/c1-24-9-6-7(2-4-8(9)17)3-5-10(18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16-17,19-21H,3,5H2,1H3,(H,22,23)
InChIKeyAYERCAHOIYERGD-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-{[3-(4-hydroxy-3-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid (CHEBI:168070) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127982HMDB