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CHEBI:190876 - 6-({6-[6-(2,4-dihydroxyphenyl)-2-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-2,2-dimethyl-2H-chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190876
ChEBI Name6-({6-[6-(2,4-dihydroxyphenyl)-2-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-2,2-dimethyl-2H-chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H44O16
Net Charge0
Average Mass852.842
Monoisotopic Mass852.26294
SMILESCC1=CC(c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)C(C(=O)c2ccc3c(c2OC2OC(C(=O)O)C(O)C(O)C2O)C=CC(C)(C)O3)C(c2ccc(O)cc2O)C1
InChIInChI=1S/C46H44O16/c1-20-16-28(24-8-7-23(48)19-33(24)52)35(29(17-20)36-31(50)12-9-25(37(36)53)30(49)11-5-21-4-6-22(47)18-32(21)51)38(54)27-10-13-34-26(14-15-46(2,3)62-34)42(27)60-45-41(57)39(55)40(56)43(61-45)44(58)59/h4-15,17-19,28-29,35,39-41,43,45,47-48,50-53,55-57H,16H2,1-3H3,(H,58,59)/b11-5+
InChIKeyVQXSYCGPLCVRNH-VZUCSPMQSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-({6-[6-(2,4-dihydroxyphenyl)-2-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-2,2-dimethyl-2H-chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190876) is a chalcones (CHEBI:23086)
IUPAC Name 
6-[6-[6-(2,4-dihydroxyphenyl)-2-[3-[(E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-ene-1-carbonyl]-2,2-dimethylchromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126393HMDB