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CHEBI:180859 - 6-{4-[(1E)-3-({5-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl}methoxy)-3-oxoprop-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:180859
ChEBI Name6-{4-[(1E)-3-({5-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl}methoxy)-3-oxoprop-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H44O21
Net Charge0
Average Mass872.782
Monoisotopic Mass872.23751
SMILESO=C(/C=C/c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)OCC1(O)COC(OC2C(Oc3ccc(/C=C/C(=O)c4ccc(O)cc4O)cc3)OC(CO)C(O)C2O)C1O
InChIInChI=1S/C41H44O21/c42-16-27-29(47)31(49)35(39(60-27)59-23-10-1-19(2-11-23)5-13-25(44)24-12-7-21(43)15-26(24)45)62-40-36(52)41(55,18-57-40)17-56-28(46)14-6-20-3-8-22(9-4-20)58-38-33(51)30(48)32(50)34(61-38)37(53)54/h1-15,27,29-36,38-40,42-43,45,47-52,55H,16-18H2,(H,53,54)/b13-5+,14-6+
InChIKeyRGORSBALFNKUFH-ACFHMISVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
6-{4-[(1E)-3-({5-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl}methoxy)-3-oxoprop-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180859) is a flavonoids (CHEBI:72544)
6-{4-[(1E)-3-({5-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl}methoxy)-3-oxoprop-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180859) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[4-[(E)-3-[[5-[2-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methoxy]-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid