input word = C00031921

Metabolite InformationStructural formula
Name JCer-1
(+)-JCer 1
Formula C42H79NO9
Mw 741.57548313
CAS RN 174176-93-3
C_ID C00031921 ,
InChIKey BLFKVICPDXPVLY-BCXROBPDNA-N
InChICode InChI=1S/C42H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28,30,34-40,42,44-49H,3-19,21,23-27,29,31-33H2,1-2H3,(H,43,50)/b22-20+,30-28+/t34-,35+,36+,37+,38+,39-,40+,42+/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/CC/C=C/CCCCCCCCC)O)NC(=O)[C@@H](CCCCCCCCCCCCCCCC)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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