Mol:BMMCHC--k022
From Metabolomics.JP
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
