input word = C00041364

Metabolite InformationStructural formula
Name Asteriacerebroside A
Formula C43H81NO9
Mw 755.59113319
CAS RN 134178-88-4
C_ID C00041364 ,
InChIKey GDGXLSFHGNSUGE-LSUSWXEENA-N
InChICode InChI=1S/C43H81NO9/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-36(46)35(34-52-43-41(50)40(49)39(48)38(33-45)53-43)44-42(51)37(47)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,29,31,35-41,43,45-50H,3-16,19-28,30,32-34H2,1-2H3,(H,44,51)/b18-17+,31-29+/t35-,36-,37-,38+,39-,40-,41+,43-/m0/s1
SMILES [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@H](/C=C/CCCCCC/C=C/CCCCCCCC)O)NC(=O)[C@H](CCCCCCCCCCCCCC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeAsterias amurensis Lutken Ref.
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