input word = C00028137

Metabolite InformationStructural formula
Name Dehydrobatzelladine C
Formula C27H46N6O2
Mw 486.36822476
CAS RN 763082-99-1
C_ID C00028137 ,
InChIKey OLMJSUULLUIXMS-VJOGAFQXNA-N
InChICode InChI=1S/C27H46N6O2/c1-3-5-7-8-10-13-20-19-21-15-16-23-24(25(34)35-18-12-11-17-30-26(28)29)22(14-9-6-4-2)32-27(31-20)33(21)23/h20-21H,3-19H2,1-2H3,(H4,28,29,30)/t20-,21+/m0/s1
SMILES c1(c(c2n3c(=N[C@H](C[C@H]3CC2)CCCCCCC)n1)C(=O)OCCCCNC(=N)N)CCCCC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Monanchora arbuscula Ref.
--Monanchora unguiculata Ref.
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