input word = C00031923

Metabolite InformationStructural formula
Name JCer-3
(+)-JCer 3
Formula C46H89NO9
Mw 799.65373345
CAS RN 401497-15-2
C_ID C00031923 ,
InChIKey KXORTTWDWASXQY-XAHJZVDWNA-N
InChICode InChI=1S/C46H89NO9/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/h32,34,38-44,46,48-53H,3-31,33,35-37H2,1-2H3,(H,47,54)/b34-32+/t38-,39+,40+,41+,42+,43-,44+,46+/m0/s1
SMILES [C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)([C@@H](/C=C/CCCCCCCCCCC)O)NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCCCC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Comanthus japonica Ref.
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