canthaxanthin





Chemical Formula:
C40H52O2
Molecular Weight:
564.85 Daltons
Monoisotopic Mass:
564.3967309134 Daltons
SMILES:
CC(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C(CCC2(C)C)=O)C)
InChI:
1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+

Synonyms
  • β,β-carotene-4,4'-dione

Databases
MetaCyc:  CPD-7851
MetaboLights:  MTBLC3362
HMDB:  HMDB03154
LIPID MAPS:  LMPR01070264
ChemSpider:  4444639
ChEBI:  3362
PubChem (CID):  5281227
KEGG:  C08583
RefMet:  Canthaxanthin
Seed:  cpd05490
MetaNetX:  MNXM3938