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CHEBI:190812 - 6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190812
ChEBI Name6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H34O14
Net Charge0
Average Mass666.632
Monoisotopic Mass666.19486
SMILESCC1=CC(c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)C(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(c2ccc(O)cc2O)C1
InChIInChI=1S/C34H34O14/c1-14-8-20(19-7-6-18(36)13-23(19)38)26(33(46)48-34-30(43)28(41)29(42)31(47-34)32(44)45)21(9-14)27-24(39)10-15(11-25(27)40)2-3-16-4-5-17(35)12-22(16)37/h2-7,9-13,20-21,26,28-31,34-43H,8H2,1H3,(H,44,45)/b3-2+
InChIKeyVZIZYECOMULQAT-NSCUHMNNSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190812) is a stilbenoid (CHEBI:26776)
IUPAC Name 
6-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-ene-1-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126275HMDB