input word = C00043722

Metabolite InformationStructural formula
Name Microtoenin B
(-)-Microtoenin B
Formula C45H56N8O8
Mw 836.42211082
CAS RN 721395-33-1
C_ID C00043722 ,
InChIKey OQEDQPROIDLGAM-GOLPIHDGNA-N
InChICode InChI=1S/C45H56N8O8/c1-27(2)38-44(60)51-34(24-31-17-10-6-11-18-31)42(58)50-33(23-30-15-8-5-9-16-30)41(57)48-29(4)40(56)47-28(3)39(55)46-26-37(54)49-35(25-32-19-12-7-13-20-32)45(61)53-22-14-21-36(53)43(59)52-38/h5-13,15-20,27-29,33-36,38H,14,21-26H2,1-4H3,(H,46,55)(H,47,56)(H,48,57)(H,49,54)(H,50,58)(H,51,60)(H,52,59)/t28-,29-,33-,34-,35-,36-,38-/m0/s1
SMILES [C@H]1(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)C)Cc1ccccc1)CCC2)C(C)C)Cc1ccccc1)Cc1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeLabiataeMicrotoena prainiana Ref.
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