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CHEBI:168908 - 6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168908
ChEBI Name6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O13
Net Charge0
Average Mass524.475
Monoisotopic Mass524.15299
SMILESCOc1cc(CCC(=O)c2c(O)cc(O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)cc(OC)c1OC
InChIInChI=1S/C24H28O13/c1-33-15-6-10(7-16(34-2)21(15)35-3)4-5-12(26)17-13(27)8-11(25)9-14(17)36-24-20(30)18(28)19(29)22(37-24)23(31)32/h6-9,18-20,22,24-25,27-30H,4-5H2,1-3H3,(H,31,32)
InChIKeyNVXPJTUKBPKAED-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)
6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168908) is a flavonoids (CHEBI:72544)
6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168908) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0124886HMDB
74886504ChemSpider