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CHEBI:172913 - Tocopheronic acid

ChEBI IDCHEBI:172913
ChEBI NameTocopheronic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCC1=C(C)C(=O)C(CCC(C)(O)CCC(=O)O)=C(C)C1=O
InChIInChI=1S/C16H22O5/c1-9-10(2)15(20)12(11(3)14(9)19)5-7-16(4,21)8-6-13(17)18/h21H,5-8H2,1-4H3,(H,17,18)
InChIKeyLRYFTDGIIUTFFA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Tocopheronic acid (CHEBI:172913) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-hydroxy-4-methyl-6-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanoic acid
Manual XrefsDatabases
35013225ChemSpider
HMDB0030555HMDB
Registry NumbersSources
CAS:1948-76-1ChemIDplus