ChEBI

CHEBI:187710 - 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-4-methoxybenzene-1,3-diol

ChEBI Name 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-4-methoxybenzene-1,3-diol ChEBI ID CHEBI:187710 Stars This entity has been manually annotated by a third party. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C40H40O10 Net Charge 0 Average Mass 680.750 Monoisotopic Mass 680.26215 InChI InChI=1S/C40H40O10/c1-20(2)5-11-27-31(43)14-13-28(37(27)47)38(48)35-29(26-12-10-25(42)19-33(26)45)15-21(3)16-30(35)36-34(46)17-23(40(50-4)39(36)49)7-6-22-8-9-24(41)18-32(22)44/h5-10,12-14,16-19,29-30,35,41-47,49H,11,15H2,1-4H3/b7-6+ InChIKey XCLMLKJHKGWLAM-VOTSOKGWSA-N SMILES O=C(C1C(CC(=CC1C=2C(O)=C(OC)C(=CC2O)/C=C/C3=C(O)C=C(O)C=C3)C)C4=C(O)C=C(O)C=C4)C5=C(O)C(=C(O)C=C5)CC=C(C)C Metabolite of Species Details Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study Roles Classification Biological Role(s): plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via diarylheptanoid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-4-methoxybenzene-1,3-diol (CHEBI:187710) is a diarylheptanoid (CHEBI:78802) IUPAC Name [2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxy-3-methoxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone Manual Xref Database HMDB0126353 HMDB View more database links