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CHEBI:169247 - 6-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dien-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169247
ChEBI Name6-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dien-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O10
Net Charge0
Average Mass486.473
Monoisotopic Mass486.15260
SMILESC=C(C)/C=C/c1c(O)cc(/C=C/c2ccc(O)c(O)c2)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C25H26O10/c1-12(2)3-7-15-17(27)10-14(5-4-13-6-8-16(26)18(28)9-13)11-19(15)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h3-11,20-23,25-31H,1H2,2H3,(H,32,33)/b5-4+,7-3+
InChIKeyLIXNICMVJISUQL-JLVHPEPXSA-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-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dien-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169247) is a glycoside (CHEBI:24400)
6-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dien-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169247) is a stilbenoid (CHEBI:26776)
IUPAC Name 
6-[5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dienyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0129086HMDB