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CHEBI:193355 - 6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid

ChEBI IDCHEBI:193355
ChEBI Name6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-6-hydroxy-4-methylcyclohex-3-ene-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(O)(c2ccc(O)cc2O)C1
InChIInChI=1S/C29H28O10/c1-14-10-19(26(28(37)38)29(39,13-14)20-7-5-17(31)12-24(20)35)25-22(33)9-6-18(27(25)36)21(32)8-3-15-2-4-16(30)11-23(15)34/h2,4-7,9-12,19,26,30-31,33-36,39H,3,8,13H2,1H3,(H,37,38)
InChIKeyNWRVFKHYDFCQLB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid (CHEBI:193355) is a chalcones (CHEBI:23086)
IUPAC Name 
6-(2,4-dihydroxyphenyl)-2-[3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl]-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
Manual XrefsDatabases
74886635ChemSpider