input word = C00016408

Metabolite InformationStructural formula
Name MS 681b
Formula C59H90N12O9
Mw 1110.69537256
CAS RN 173485-73-9
C_ID C00016408 ,
InChIKey VZDJIKIRSZPOGN-UHFFFAOYNA-N
InChICode InChI=1S/C59H90N12O9/c1-11-58(9,69-49(74)40(3)64-52(77)56(5,6)71-53(78)57(7,8)68-50(75)46(65-41(4)72)36-43-27-18-14-19-28-43)54(79)63-39-48(73)67-47(37-44-29-20-15-21-30-44)51(76)70-59(10,12-2)55(80)66-45(35-42-25-16-13-17-26-42)38-62-34-24-33-61-32-23-22-31-60/h13-21,25-30,40,45-47,61-62H,11-12,22-24,31-39,60H2,1-10H3,(H,63,79)(H,64,77)(H,65,72)(H,66,80)(H,67,73)(H,68,75)(H,69,74)(H,70,76)(H,71,78)/t40-,45-,46-,47-,58+,59-/m0/s1
SMILES N(CCCNCCCCN)C[C@H](Cc1ccccc1)NC(=O)[C@@](C)(NC(=O)[C@@H](NC(=O)CNC(=O)[C@@](C)(CC)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C)Cc1ccccc1)Cc1ccccc1)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium sp. KY6568 Ref.
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