input word = C00022918

Metabolite InformationStructural formula
Name Deepoxysalmoxanthin
(3R,3'S,6'R)-beta,epsilon-Carotene-3,3',6'-triol
Formula C40H56O3
Mw 584.42294565
CAS RN 342425-09-6
C_ID C00022918 ,
InChIKey SYNAJGXENWULAN-RAQGGGTFNA-N
InChICode InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,26,35-36,41-43H,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36-,40+/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@]1(C(C[C@@H](C=C1C)O)(C)C)O)\C)\C)/C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSalmonidaeOncorhynchus keta Ref.
--Onchorynchus keta Ref.
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