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CHEBI:168417 - beta-Tocopheryl quinone

ChEBI IDCHEBI:168417
ChEBI Namebeta-Tocopheryl quinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O3
Net Charge0
Average Mass432.689
Monoisotopic Mass432.36035
SMILESCC1=CC(=O)C(C)=C(CCC(C)(O)CCCC(C)CCCC(C)CCCC(C)C)C1=O
InChIInChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7,31)18-16-25-24(6)26(29)19-23(5)27(25)30/h19-22,31H,8-18H2,1-7H3
InChIKeyITLZIXCIULJMPV-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)
beta-Tocopheryl quinone (CHEBI:168417) is a diterpenoid (CHEBI:23849)
IUPAC Name 
3-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-2,5-dimethylcyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
HMDB0035194HMDB
35013870ChemSpider