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CHEBI:230271 - 3,5,3',5'-Tetra-tert-butyldiphenoquinone

ChEBI IDCHEBI:230271
ChEBI Name3,5,3',5'-Tetra-tert-butyldiphenoquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O2
Net Charge0
Average Mass408.626
Monoisotopic Mass408.30283
SMILESCC(C)(C)C1=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O
InChIInChI=1S/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3
InChIKeyGQIGHOCYKUBBOE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
3,5,3',5'-Tetra-tert-butyldiphenoquinone (CHEBI:230271) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
Manual XrefsDatabases
195835ChemSpider