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CHEBI:186318 - 6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid

ChEBI IDCHEBI:186318
ChEBI Name6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28O10
Net Charge0
Average Mass536.533
Monoisotopic Mass536.16825
SMILESO=C(CCc1ccc(O)cc1O)c1ccc(O)c(C2C=C(CO)CC(c3ccc(O)cc3O)C2C(=O)O)c1O
InChIInChI=1S/C29H28O10/c30-13-14-9-20(18-5-4-17(32)12-25(18)36)26(29(38)39)21(10-14)27-23(34)8-6-19(28(27)37)22(33)7-2-15-1-3-16(31)11-24(15)35/h1,3-6,8,10-12,20-21,26,30-32,34-37H,2,7,9,13H2,(H,38,39)
InChIKeyRAPFTPVSHNXNAD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid (CHEBI:186318) is a chalcones (CHEBI:23086)
IUPAC Name 
6-(2,4-dihydroxyphenyl)-2-[3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl]-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
Manual XrefsDatabases
HMDB0126469HMDB