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CHEBI:169150 - 4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione

ChEBI IDCHEBI:169150
ChEBI Name4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILESCC1=C(c2cc(C(C)C)c(O)cc2C)C(O)=C(C(C)C)C(=O)C1=O
InChIInChI=1S/C20H24O4/c1-9(2)13-8-14(11(5)7-15(13)21)17-12(6)18(22)20(24)16(10(3)4)19(17)23/h7-10,21,23H,1-6H3
InChIKeyXGFSIBFJMNPIJP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione (CHEBI:169150) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
5-hydroxy-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione