input word = C00022926

Metabolite InformationStructural formula
Name Karpoxanthin
Carpoxanthin
(3S,3'R,5R,6R)-5,6-Dihydro-3,3',5,6-tetrahydroxy-beta,beta-carotene
Formula C40H58O4
Mw 602.43351034
CAS RN 99664-48-9
C_ID C00022926 ,
InChIKey DJOWTWWHMWQATC-FMMXZMBCNA-N
InChICode InChI=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
SMILES C1[C@H](CC([C@@]([C@]1(C)O)(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C[C@H](CC1(C)C)O)C)/C)/C)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa pomifera Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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OrganismRosa pomifera
ReferenceMarki-Fischer,Helv. Chim. Acta,68,(1985),1704