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CHEBI:88427 - α-CEHC

ChEBI IDCHEBI:88427
ChEBI Nameα-CEHC
Stars
ASCII Namealpha-CEHC
Last Modified17 December 2019
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)O)O2
InChIInChI=1S/C16H22O4/c1-9-10(2)15-12(11(3)14(9)19)5-7-16(4,20-15)8-6-13(17)18/h19H,5-8H2,1-4H3,(H,17,18)
InChIKeyAXODOWFEFKOVSH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (11841923)
ChEBI Ontology
Outgoing Relation(s)
α-CEHC (CHEBI:88427) is a benzopyran (CHEBI:22727)
Incoming Relation(s)
alpha-CEHC sulfate (CHEBI:232995) has functional parent α-CEHC (CHEBI:88427)
Synonyms  Source
2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychromanHMDB
alpha-CEHCHMDB
6-Hydroxy-2,5,7,8-tetramethyl-2-Chromanpropionic acidHMDB
3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acidHMDB
6-Hydroxy-2-(2-carboxylethyl)-2,5,7,8-tetramethylchromanHMDB
6-Hydroxy-2-carboxylethyl-2,5,7,8-tetramethylchromanHMDB
Manual XrefsDatabases
HMDB0001518HMDB
CPD-11962MetaCyc
Registry NumbersSources
CAS:4072-32-6KEGG COMPOUND
Citations