EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176201 - 6-Epikarpoxanthin

ChEBI IDCHEBI:176201
ChEBI Name6-Epikarpoxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H58O4
Net Charge0
Average Mass602.900
Monoisotopic Mass602.43351
SMILESCC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\C2(O)C(C)(C)CC(O)CC2(C)O)C(C)(C)CC(O)C1
InChIInChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13-,18-14-,22-21-,24-23+,29-15-,30-16+,31-19-,32-20+
InChIKeyDJOWTWWHMWQATC-BXBIEBEISA-N
ChEBI Ontology
Outgoing Relation(s)
6-Epikarpoxanthin (CHEBI:176201) is a xanthophyll (CHEBI:27325)
IUPAC Name 
1-[(1E,3E,5Z,7E,9E,11Z,13Z,15Z,17Z)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol
Manual XrefsDatabases
HMDB0034978HMDB
35013808ChemSpider