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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-5-hydroxy-4-methyl-3-cyclohexene-1-carboxylic acid
ChEBI ID CHEBI:229797
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H28O10
Net Charge 0
Average Mass 536.533
Monoisotopic Mass 536.16825
InChI InChI=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)
InChIKey PVKMQJGMSRVSEO-UHFFFAOYSA-N
SMILES OC1C(C(C(C=C1C)C=2C(O)=C(C=CC2O)C(=O)CCC3=C(O)C=C(O)C=C3)C(O)=O)C4=C(O)C=C(O)C=C4
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
74886633 ChemSpider
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