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CHEBI:186017 - 2-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)benzene-1,3-diol

ChEBI IDCHEBI:186017
ChEBI Name2-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)benzene-1,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32O7
Net Charge0
Average Mass516.590
Monoisotopic Mass516.21480
SMILESCC1=CC(c2c(O)cccc2O)C(C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)C(c2ccc(O)cc2O)C1
InChIInChI=1S/C31H32O7/c1-16(2)7-9-20-24(33)12-11-21(30(20)37)31(38)28-22(19-10-8-18(32)15-27(19)36)13-17(3)14-23(28)29-25(34)5-4-6-26(29)35/h4-12,14-16,22-23,28,32-37H,13H2,1-3H3/b9-7+
InChIKeyNYDDZMHXNRKMBY-VQHVLOKHSA-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-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)benzene-1,3-diol (CHEBI:186017) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
[2,4-dihydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]methanone
Manual XrefsDatabases
HMDB0126448HMDB