input word = C00050273

Metabolite InformationStructural formula
Name Batzelladine B
(+)-Batzelladine B
Formula C40H67N9O4
Mw 737.53160169
CAS RN 161503-23-7
C_ID C00050273 ,
InChIKey CFRXQGXKLCOKGG-WETNDHMZNA-N
InChICode InChI=1S/C40H67N9O4/c1-3-4-5-9-12-18-29-27-30-21-22-33-34(28(2)45-40(46-29)49(30)33)36(50)52-25-15-11-8-6-7-10-13-19-31-35(32-20-17-24-48(32)39(43)47-31)37(51)53-26-16-14-23-44-38(41)42/h29-31,33H,3-27H2,1-2H3,(H2,43,47)(H,45,46)(H4,41,42,44)/t29-,30+,31-,33+/m1/s1
SMILES CCCCCCC[C@@H]1C[C@@H]2CC[C@H]3C(C(=O)OCCCCCCCCC[C@H]4N=C(N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)=C(C)NC(=N1)N23
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Batzella sp. Ref.
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