input word =
C00039204
Metabolite Information
Structural formula
Name
Ferocerebroside A
(+)-Ferocerebroside A
Formula
C44H83NO9
Mw
769.60678326
CAS RN
946130-15-0
C_ID
C00039204 ,
InChIKey
VZVSHAMCIFKUFY-ITRNMIFYNA-N
InChICode
InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22+,32-30+/t36-,37+,38+,39+,40+,41-,42+,44+/m0/s1
SMILES
[C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@H](NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCC)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
Plantae
Nymphaeaceae
Euryale ferox
Ref.
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