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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione
ChEBI ID CHEBI:169150
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24O4
Net Charge 0
Average Mass 328.408
Monoisotopic Mass 328.16746
InChI InChI=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
InChIKey XGFSIBFJMNPIJP-UHFFFAOYSA-N
SMILES OC=1C(C2=CC(C(C)C)=C(O)C=C2C)=C(C(=O)C(=O)C1C(C)C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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