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CHEBI:229797 - 6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-5-hydroxy-4-methyl-3-cyclohexene-1-carboxylic acid

ChEBI IDCHEBI:229797
ChEBI Name6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-5-hydroxy-4-methyl-3-cyclohexene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28O10
Net Charge0
Average Mass536.533
Monoisotopic Mass536.16825
SMILESCC1=CC(c2c(O)ccc(C(=O)CCc3ccc(O)cc3O)c2O)C(C(=O)O)C(c2ccc(O)cc2O)C1O
InChIInChI=1S/C29H28O10/c1-13-10-19(26(29(38)39)25(27(13)36)17-6-5-16(31)12-23(17)35)24-21(33)9-7-18(28(24)37)20(32)8-3-14-2-4-15(30)11-22(14)34/h2,4-7,9-12,19,25-27,30-31,33-37H,3,8H2,1H3,(H,38,39)
InChIKeyPVKMQJGMSRVSEO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-5-hydroxy-4-methyl-3-cyclohexene-1-carboxylic acid (CHEBI:229797) is a chalcones (CHEBI:23086)
IUPAC Name 
6-(2,4-dihydroxyphenyl)-2-[3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl]-5-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
Manual XrefsDatabases
74886633ChemSpider