input word = C00016410

Metabolite InformationStructural formula
Name MS 681d
Formula C60H92N12O9
Mw 1124.71102262
CAS RN 173485-75-1
C_ID C00016410 ,
InChIKey RNBLAEPFMPJRIZ-UHFFFAOYNA-N
InChICode InChI=1S/C60H92N12O9/c1-11-58(8,69-50(75)41(4)65-53(78)57(6,7)72-56(81)60(10,13-3)71-51(76)47(66-42(5)73)37-44-28-19-15-20-29-44)54(79)64-40-49(74)68-48(38-45-30-21-16-22-31-45)52(77)70-59(9,12-2)55(80)67-46(36-43-26-17-14-18-27-43)39-63-35-25-34-62-33-24-23-32-61/h14-22,26-31,41,46-48,62-63H,11-13,23-25,32-40,61H2,1-10H3,(H,64,79)(H,65,78)(H,66,73)(H,67,80)(H,68,74)(H,69,75)(H,70,77)(H,71,76)(H,72,81)/t41-,46-,47-,48-,58+,59+,60-/m1/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)(CC)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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