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CHEBI:181204 - All-trans-Canthaxanthin

ChEBI IDCHEBI:181204
ChEBI NameAll-trans-Canthaxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O2
Net Charge0
Average Mass564.854
Monoisotopic Mass564.39673
SMILESCC(C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C
InChIInChI=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
InChIKeyFDSDTBUPSURDBL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
All-trans-Canthaxanthin (CHEBI:181204) is a xanthophyll (CHEBI:27325)
IUPAC Name 
2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
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