input word = C00049544

Metabolite InformationStructural formula
Name Aralia cerebroside
Formula C40H77NO10
Mw 731.55474769
CAS RN 239449-41-3
C_ID C00049544 ,
InChIKey AYBHLNMQTQBJBX-MLJNWSNWNA-N
InChICode InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+/t31-,32+,33+,34+,35-,36+,37-,38+,40+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]([C@@H]([C@@H](CCC/C=C\CCCCCCCCC)O)O)NC(=O)[C@@H](CCCCCCCCCCCCCC)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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