Mol:BMFYB4DAi008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 5 1 0 0 0 0
2 5 1 4 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
1 11 2 0 0 0 0
1 12 1 0 0 0 0
3 4 1 0 0 0 0
4 13 1 0 0 0 0
4 14 2 0 0 0 0
3 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 15 2 0 0 0 0
S SKP 7
ID BMFYB4DAi008
NAME (2Z) -2- (Acetamidomethylidene) -3- (hydroxymethyl) butanedioic acid
CAS_RN 95735-51-6
FORMULA C8H11NO6
EXACTMASS 217.0586
AVERAGEMASS 217.176
SMILES OCC(C(O)=O)C(=CNC(C)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04690
M END
