Mol:BMFYB7DAj004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 17 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
13 1 1 0 0 0 0
8 9 1 0 0 0 0
1 14 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
2 8 1 1 0 0 0
11 12 1 0 0 0 0
5 6 1 0 0 0 0
12 19 1 0 0 0 0
1 2 1 0 0 0 0
9 18 2 0 0 0 0
6 7 1 0 0 0 0
12 20 2 0 0 0 0
7 16 2 0 0 0 0
4 5 1 0 0 0 0
6 15 2 0 0 0 0
S SKP 7
ID BMFYB7DAj004
NAME (2S) -2- [(4-Hydroxy-4-oxobutanoyl) amino] -6-oxoheptanedioic acid
CAS_RN 153484-05-0
FORMULA C11H15NO8
EXACTMASS 289.0797
AVERAGEMASS 289.2387
SMILES OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04462
M END
