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CHEBI:169160 - 3,4,5-trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:169160
ChEBI Name3,4,5-trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O9
Net Charge0
Average Mass432.425
Monoisotopic Mass432.14203
SMILESCOc1ccc(C(=O)CCc2ccccc2)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C22H24O9/c1-29-13-8-9-14(15(23)10-7-12-5-3-2-4-6-12)16(11-13)30-22-19(26)17(24)18(25)20(31-22)21(27)28/h2-6,8-9,11,17-20,22,24-26H,7,10H2,1H3,(H,27,28)
InChIKeyKWCKFFVBKFBLPV-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-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid (CHEBI:169160) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid (CHEBI:169160) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135635HMDB