Mol:KOX00420
From Metabolomics.JP
ISISHOST03240423162D 1 1.00000 0.00000 6276 15 16 0 0 0 999 V2000 0.0759 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0.7655 0.4310 0.0000 N 0 0 3 0 0 0 0 0 0 0.0759 -0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6103 0.4310 0.0000 N 0 0 0 0 0 0 0 0 0 1.4552 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0.7655 1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6103 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3035 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 2.1448 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 1.4552 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3035 -0.7621 0.0000 N 0 3 0 0 0 0 0 0 0 -0.6103 -1.9621 0.0000 N 0 0 0 0 0 0 0 0 0 -1.9931 0.4310 0.0000 N 0 0 0 0 0 0 0 0 0 2.1448 1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4552 -1.2483 0.0000 O 0 5 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 7 11 1 0 0 0 7 12 1 0 0 0 8 13 1 0 0 0 9 14 1 0 0 0 11 15 1 0 0 0 8 11 2 0 0 0 10 14 1 0 0 0 M CHG 2 11 1 15 -1 S SKP 5 ID KOX00420 FORMULA C9H15N5O EXACTMASS 209.127660127 AVERAGEMASS 209.2485 SMILES Nc(c1)[n+1]([O-1])c(N)nc1N(C2)CCCC2 M END