input word = C00050051

Metabolite InformationStructural formula
Name Debromosceptrin
(-)-Debromosceptrin
Formula C22H26N10O2
Mw 462.22402015
CAS RN 217807-68-6
C_ID C00050051 ,
InChIKey GKTDJKRRZLVEPY-NXTQRQJXNA-N
InChICode InChI=1S/C22H26N10O2/c23-21-29-9-15(31-21)17-11(7-27-19(33)13-3-1-5-25-13)12(18(17)16-10-30-22(24)32-16)8-28-20(34)14-4-2-6-26-14/h1-6,9-12,17-18,25-26H,7-8H2,(H,27,33)(H,28,34)(H3,23,29,31)(H3,24,30,32)/t11-,12-,17-,18-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]1c1[nH]c(nc1)N)CNC(=O)c1[nH]ccc1)CNC(=O)c1ccc[nH]1)c1cnc([nH]1)N
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas conifera Ref.
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OrganismAgelas conifera
ReferenceShen,J.Nat.Prod.,61,(1998),1302