Mol:BMFYB6SAk001
From Metabolomics.JP
(Difference between revisions)
| Line 30: | Line 30: | ||
S SKP 7 | S SKP 7 | ||
ID BMFYB6SAk001 | ID BMFYB6SAk001 | ||
| − | NAME 2-Amino-3- | + | NAME 2-Amino-3- (3-oxo-1-propen-1-yl) -2-butenedioic acid |
| + | CAS_RN 16597-58-3 | ||
FORMULA C7H7NO5 | FORMULA C7H7NO5 | ||
EXACTMASS 185.0324 | EXACTMASS 185.0324 | ||
Latest revision as of 17:57, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 0 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 0 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
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 C 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
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 N 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
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
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
5 6 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
7 9 1 0 0 0 0
7 10 2 0 0 0 0
3 7 1 0 0 0 0
1 11 1 0 0 0 0
1 12 2 0 0 0 0
2 1 1 0 0 0 0
6 13 2 0 0 0 0
2 8 1 0 0 0 0
S SKP 7
ID BMFYB6SAk001
NAME 2-Amino-3- (3-oxo-1-propen-1-yl) -2-butenedioic acid
CAS_RN 16597-58-3
FORMULA C7H7NO5
EXACTMASS 185.0324
AVERAGEMASS 185.1342
SMILES O=CC=CC(C(O)=O)=C(N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04409
M END
