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CHEBI:191765 - 3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl

ChEBI IDCHEBI:191765
ChEBI Name3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESCc1cc(O)c(C(C)C)cc1-c1cc(C(C)C)c(O)c(O)c1C
InChIInChI=1S/C20H26O3/c1-10(2)14-8-16(12(5)7-18(14)21)17-9-15(11(3)4)20(23)19(22)13(17)6/h7-11,21-23H,1-6H3
InChIKeyHNHWYZDOESMBLD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl (CHEBI:191765) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name 
4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylbenzene-1,2-diol
Manual XrefsDatabases
HMDB0039614HMDB
10276704ChemSpider