input word = C00042272

Metabolite InformationStructural formula
Name Batzelladine J
(-)-Batzelladine J
Formula C41H67N9O4
Mw 749.53160169
CAS RN 866403-32-9
C_ID C00042272 ,
InChIKey LEKBWNKNEQMBQD-SSIZUKNLNA-N
InChICode InChI=1S/C41H67N9O4/c1-4-5-6-8-11-16-29-25-31-18-20-33-35(27(2)45-40(47-29)49(31)33)37(51)53-23-14-10-7-9-12-17-30-26-32-19-21-34-36(28(3)46-41(48-30)50(32)34)38(52)54-24-15-13-22-44-39(42)43/h27-32H,4-26H2,1-3H3,(H,45,47)(H,46,48)(H4,42,43,44)/t27-,28-,29+,30+,31-,32-/m0/s1
SMILES N12C3=N[C@@H](C[C@@H]2CCC1=C([C@@H](N3)C)C(=O)OCCCCCCC[C@@H]1C[C@H]2N3C(=N1)N[C@H](C(=C3CC2)C(=O)OCCCCNC(=N)N)C)CCCCCCC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Monanchora unguifera Ref.
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OrganismMonanchora unguifera
ReferenceGallimore,J.Nat.Prod.,68,(2005),1420