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

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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}-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
ChEBI ID CHEBI:186318
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/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)
InChIKey RAPFTPVSHNXNAD-UHFFFAOYSA-N
SMILES OC(=O)C1C(CC(=CC1C=2C(O)=C(C=CC2O)C(=O)CCC3=C(O)C=C(O)C=C3)CO)C4=C(O)C=C(O)C=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0126469 HMDB
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