Mol:BMMCHC--k021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 17 17 0 0 1 0 0 0 0 0999 V2000 2.8660 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.4571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.9571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0249 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 2 1 1 6 0 0 0 3 4 1 0 0 0 0 1 16 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 2 6 1 0 0 0 0 7 8 1 0 0 0 0 1 15 2 0 0 0 0 8 10 1 0 0 0 0 2 3 1 0 0 0 0 8 9 2 0 0 0 0 6 11 1 0 0 0 0 3 17 1 6 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 S SKP 7 ID BMMCHC--k021 NAME (2S,3R) -5- (Diaminomethylideneamino) -3-hydroxy-2- (2-oxoazetidin-1-yl) pentanoic acid CAS_RN 148601-28-9 FORMULA C9H16N4O4 EXACTMASS 244.1171 AVERAGEMASS 244.2479 SMILES NC(=N)NCC[C@@H](O)[C@@H](C(O)=O)N(C1)C(=O)C1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06657 M END