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CHEBI:168904 - 6-{2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168904
ChEBI Name6-{2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O12
Net Charge0
Average Mass534.514
Monoisotopic Mass534.17373
SMILESCOc1c(CC=C(C)C)c(O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C26H30O12/c1-11(2)4-6-14-18(30)10-19(37-26-22(33)20(31)21(32)24(38-26)25(34)35)15(23(14)36-3)9-17(29)13-7-5-12(27)8-16(13)28/h4-5,7-8,10,20-22,24,26-28,30-33H,6,9H2,1-3H3,(H,34,35)
InChIKeyCYUJXBJYLFKLOH-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-{2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168904) is a glycoside (CHEBI:24400)
6-{2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168904) is a stilbenoid (CHEBI:26776)
IUPAC Name 
6-[2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-4-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
74886508ChemSpider
HMDB0125466HMDB