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CHEBI:176198 - Karpoxanthin

ChEBI IDCHEBI:176198
ChEBI NameKarpoxanthin
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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/[C@@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](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+/t34-,35+,39-,40-/m1/s1
InChIKeyDJOWTWWHMWQATC-SZYTUFQFSA-N
ChEBI Ontology
Outgoing Relation(s)
Karpoxanthin (CHEBI:176198) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-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
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