input word = C00039205

Metabolite InformationStructural formula
Name Ferocerebroside B
Formula C46H87NO9
Mw 797.63808338
CAS RN 946130-16-1
C_ID C00039205 ,
InChIKey YZFYXQFXFONLCR-HUBBCTLANA-N
InChICode InChI=1S/C46H87NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-40(50)45(54)47-38(37-55-46-44(53)43(52)42(51)41(36-48)56-46)39(49)34-32-30-28-26-24-14-12-10-8-6-4-2/h24,26,32,34,38-44,46,48-53H,3-23,25,27-31,33,35-37H2,1-2H3,(H,47,54)/b26-24+,34-32+/t38-,39+,40+,41+,42+,43-,44+,46+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@H](NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCCCC)O)[C@@H](/C=C/CC/C=C/CCCCCCC)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeEuryale ferox Ref.
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