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CHEBI:172659 - 11'-Carboxy-alpha-chromanol

ChEBI IDCHEBI:172659
ChEBI Name11'-Carboxy-alpha-chromanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O4
Net Charge0
Average Mass418.618
Monoisotopic Mass418.30831
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCC(=O)O)O2
InChIInChI=1S/C26H42O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h17-18,29H,7-16H2,1-6H3,(H,27,28)/t17-,18+,26+/m0/s1
InChIKeyFKTCHXAVPYGOSM-CUAXAMRHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
11'-Carboxy-alpha-chromanol (CHEBI:172659) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4R,8S)-11-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundecanoic acid
Manual XrefsDatabases
HMDB0012515HMDB
30776627ChemSpider