input word = C00022873

Metabolite InformationStructural formula
Name (3R,3'S,6'S)-beta,epsilon-Carotene-3,3'-diol
Lutein D
Formula C40H56O2
Mw 568.42803103
CAS RN 89673-72-3
C_ID C00022873 ,
InChIKey KBPHJBAIARWVSC-WBIOEXCZNA-N
InChICode InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-/m1/s1
SMILES C1[C@@H](CC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@H]1C(C[C@@H](C=C1C)O)(C)C)\C)\C)/C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaCoryphaenidaeCoryphaena hippurus Ref.
zoom in