Mol:BMMCHC--k022
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 12 12 0 0 1 0 0 0 0 0999 V2000 5.7579 1.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1756 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -0.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.0559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0878 -2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 1.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 9 2 0 0 0 0 7 6 1 0 0 0 0 7 10 2 0 0 0 0 6 5 1 0 0 0 0 8 3 1 0 0 0 0 5 4 1 0 0 0 0 3 2 1 0 0 0 0 8 4 1 4 0 0 0 2 1 1 0 0 0 0 7 8 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 S SKP 7 ID BMMCHC--k022 NAME Hydantoin-propanoic acid FORMULA C6H8N2O4 EXACTMASS 172.0484 AVERAGEMASS 172.1388 SMILES OC(=O)CCC(N1)C(=O)NC(=O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05565 M END
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