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

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}-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
ChEBI ID CHEBI:193355
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/c1-14-10-19(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)
InChIKey NWRVFKHYDFCQLB-UHFFFAOYSA-N
SMILES OC1(C(C(C=C(C1)C)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}-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 Xref Database
74886635 ChemSpider
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