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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 IDCHEBI:187710
ChEBI Name2-{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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H40O10
Net Charge0
Average Mass680.750
Monoisotopic Mass680.26215
SMILESCOc1c(/C=C/c2ccc(O)cc2O)cc(O)c(C2C=C(C)CC(c3ccc(O)cc3O)C2C(=O)c2ccc(O)c(CC=C(C)C)c2O)c1O
InChIInChI=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+
InChIKeyXCLMLKJHKGWLAM-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0126353HMDB