input word = C00016409

Metabolite InformationStructural formula
Name MS 681c
Formula C62H93N13O9
Mw 1163.72192166
CAS RN 173485-74-0
C_ID C00016409 ,
InChIKey ABNASTQPWXCRBF-UHFFFAOYNA-N
InChICode InChI=1S/C62H93N13O9/c1-11-60(8,72-52(78)41(4)68-55(81)59(6,7)75-58(84)62(10,13-3)74-53(79)49(69-42(5)76)36-44-27-18-15-19-28-44)56(82)67-40-51(77)71-50(37-45-38-66-48-30-21-20-29-47(45)48)54(80)73-61(9,12-2)57(83)70-46(35-43-25-16-14-17-26-43)39-65-34-24-33-64-32-23-22-31-63/h14-21,25-30,38,41,46,49-50,64-66H,11-13,22-24,31-37,39-40,63H2,1-10H3,(H,67,82)(H,68,81)(H,69,76)(H,70,83)(H,71,77)(H,72,78)(H,73,80)(H,74,79)(H,75,84)/t41-,46-,49+,50+,60-,61-,62+/m0/s1
SMILES c1ccc2c(c1)[nH]cc2C[C@H](C(=O)N[C@@](C(=O)N[C@H](CNCCCNCCCCN)Cc1ccccc1)(C)CC)NC(=O)CNC(=O)[C@@](CC)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@](C)(NC(=O)[C@@H](Cc1ccccc1)NC(=O)C)CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium sp. KY6568 Ref.
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