Mol:BMFYB4DAi007
From Metabolomics.JP
(Difference between revisions)
| Line 30: | Line 30: | ||
S SKP 7 | S SKP 7 | ||
ID BMFYB4DAi007 | ID BMFYB4DAi007 | ||
| − | NAME 2-( | + | NAME 2- [ (Acetylamino) methylene] -butanedioic acid |
| + | CAS_RN 21161-46-6 | ||
FORMULA C7H9NO5 | FORMULA C7H9NO5 | ||
EXACTMASS 187.048 | EXACTMASS 187.048 | ||
Latest revision as of 16:55, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 0 0 0 0 0 0999 V2000
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 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 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 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
4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
2 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 9 1 0 0 0 0
1 10 2 0 0 0 0
2 1 1 0 0 0 0
4 12 1 0 0 0 0
4 11 2 0 0 0 0
3 4 1 0 0 0 0
7 13 2 0 0 0 0
S SKP 7
ID BMFYB4DAi007
NAME 2- [ (Acetylamino) methylene] -butanedioic acid
CAS_RN 21161-46-6
FORMULA C7H9NO5
EXACTMASS 187.048
AVERAGEMASS 187.1501
SMILES CC(=O)NC=C(CC(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01215
M END
