input word = C00043721

Metabolite InformationStructural formula
Name Microtoenin A
(-)-Microtoenin A
Formula C47H66N8O9
Mw 886.49527577
CAS RN 721395-31-9
C_ID C00043721 ,
InChIKey MSXJTSHWDIEUFD-WSQYRAORNA-N
InChICode InChI=1S/C47H66N8O9/c1-26(2)23-33-41(58)51-35(25-31-17-19-32(56)20-18-31)47(64)55-22-12-15-36(55)42(59)52-38(27(3)4)44(61)48-29(7)40(57)50-34(24-30-13-9-8-10-14-30)46(63)54-21-11-16-37(54)43(60)53-39(28(5)6)45(62)49-33/h8-10,13-14,17-20,26-29,33-39,56H,11-12,15-16,21-25H2,1-7H3,(H,48,61)(H,49,62)(H,50,57)(H,51,58)(H,52,59)(H,53,60)/t29-,33-,34-,35-,36-,37-,38-,39-/m0/s1
SMILES [C@@H]12N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(C)C)Cc1ccc(cc1)O)CCC3)C(C)C)C)Cc1ccccc1)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeLabiataeMicrotoena prainiana Ref.
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