EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179141 - 11'-Carboxy-gamma-chromanol

ChEBI IDCHEBI:179141
ChEBI Name11'-Carboxy-gamma-chromanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O4
Net Charge0
Average Mass404.591
Monoisotopic Mass404.29266
SMILESCc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCC(=O)O)CC2
InChIInChI=1S/C25H40O4/c1-17(8-6-9-18(2)11-12-23(27)28)10-7-14-25(5)15-13-21-16-22(26)19(3)20(4)24(21)29-25/h16-18,26H,6-15H2,1-5H3,(H,27,28)/t17-,18+,25+/m0/s1
InChIKeyIITULCXNOMOXAH-YYULODDRSA-N
ChEBI Ontology
Outgoing Relation(s)
11'-Carboxy-gamma-chromanol (CHEBI:179141) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4R,8S)-11-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundecanoic acid
Manual XrefsDatabases
HMDB0012517HMDB
30776628ChemSpider