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CHEBI:169492 - 6-{4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169492
ChEBI Name6-{4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-2-(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(=O)c2ccc(O)cc2O)c(O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1CC=C(C)C
InChIInChI=1S/C26H30O12/c1-11(2)4-6-14-19(37-26-22(33)20(31)21(32)24(38-26)25(34)35)10-18(30)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)
InChIKeyQLMUPGXWXJNFPD-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-{4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169492) is a glycoside (CHEBI:24400)
6-{4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169492) is a stilbenoid (CHEBI:26776)
IUPAC Name 
6-[4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125467HMDB