input word = C00031924

Metabolite InformationStructural formula
Name JCer-4
(+)-JCer 4
Formula C46H91NO9
Mw 801.66938351
CAS RN 837365-21-6
C_ID C00031924 ,
InChIKey VTJSVLNFQKAVEP-HXCQNJEWNA-N
InChICode InChI=1S/C46H91NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-41(50)47-38(37-55-46-45(54)44(53)43(52)40(36-48)56-46)42(51)39(49)34-32-30-28-26-14-12-10-8-6-4-2/h38-40,42-46,48-49,51-54H,3-37H2,1-2H3,(H,47,50)/t38-,39+,40+,42-,43+,44-,45+,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@@H](CCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
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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OrganismComanthus japonica
ReferenceInagaki,Chem.Pharm.Bull.,52,(2004),1307