input word = C00031922

Metabolite InformationStructural formula
Name JCer-2
(+)-JCer 2
Formula C44H83NO9
Mw 769.60678326
CAS RN 837365-20-5
C_ID C00031922 ,
InChIKey VFAWXXLMKACNQI-FLVPTMOWNA-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/h16-17,30,32,36-42,44,46-51H,3-15,18-29,31,33-35H2,1-2H3,(H,45,52)/b17-16-,32-30+/t36-,37+,38+,39+,40+,41-,42+,44+/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](CCCCCCCCCC/C=C\CCCCCCCC)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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