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CHEBI:168809 - 6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168809
ChEBI Name6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy}-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)cc2OC2OC(C(=O)O)C(O)C(O)C2O)C(C(=O)O)C(c2ccc(O)cc2O)C1
InChIInChI=1S/C34H34O14/c1-14-8-20(19-7-6-18(36)13-23(19)38)26(32(43)44)21(9-14)27-24(39)10-15(2-3-16-4-5-17(35)12-22(16)37)11-25(27)47-34-30(42)28(40)29(41)31(48-34)33(45)46/h2-7,9-13,20-21,26,28-31,34-42H,8H2,1H3,(H,43,44)(H,45,46)/b3-2+
InChIKeyLICOXQDRLHMETF-NSCUHMNNSA-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-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168809) is a glycoside (CHEBI:24400)
6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168809) is a stilbenoid (CHEBI:26776)
IUPAC Name 
6-[2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126272HMDB