Mol:KOX00637
From Metabolomics.JP
10 11 0 1 0 999 V2000 -0.6348 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 -1.3492 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 -1.3492 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 -0.6348 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0.0797 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0.0797 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0.8643 -0.2549 0.0000 C 0 0 1 0 0 0 0 0 0 1.3492 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0.8643 1.0799 0.0000 N 0 0 1 0 0 0 0 0 0 -0.6348 -1.2375 0.0000 N 0 0 1 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 4 10 1 0 0 0 S SKP 8 CAS_RN 5192-23-4 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+null NAME null ID KOX00637 FORMULA C8H8N2 EXACTMASS 132.068748266 AVERAGEMASS 132.1626 SMILES N[c@@]([c@H]2)[c@]([c@@H]1)[c@]([c@H][c@@H]2)n[c@H]1 M END