Mol:BMCCID--j013
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 17 0 0 0 0 0 0 0 0999 V2000 | + | 16 17 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0000 1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4067 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4067 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4013 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4013 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4752 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4752 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4752 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4752 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6092 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6092 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6092 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6092 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0704 -0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0704 -0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7614 -1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7614 -1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4305 -2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4305 -2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3412 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3412 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7832 -1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7832 -1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4087 -2.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4087 -2.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1215 -3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1215 -3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8 1 1 0 0 0 0 | + | 8 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 9 3 1 0 0 0 0 | + | 9 3 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 13 1 0 0 0 0 | + | 5 13 1 0 0 0 0 |
| − | 3 10 1 0 0 0 0 | + | 3 10 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 11 14 2 0 0 0 0 | + | 11 14 2 0 0 0 0 |
| − | 9 4 2 0 0 0 0 | + | 9 4 2 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 12 16 2 0 0 0 0 | + | 12 16 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCID--j013 | + | ID BMCCID--j013 |
| − | NAME 5-Hydroxy-indole-pyruvic acid | + | NAME 5-Hydroxy-indole-pyruvic acid |
| − | FORMULA C11H9NO4 | + | FORMULA C11H9NO4 |
| − | EXACTMASS 219.0531 | + | EXACTMASS 219.0531 |
| − | AVERAGEMASS 219.1935 | + | AVERAGEMASS 219.1935 |
| − | SMILES Oc(c2)cc(c(c2)1)c(cn1)CC(=O)C(O)=O | + | SMILES Oc(c2)cc(c(c2)1)c(cn1)CC(=O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05646 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05646 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 17 0 0 0 0 0 0 0 0999 V2000
2.0000 1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 -0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7614 -1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4305 -2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3412 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 -1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4087 -2.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1215 -3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
9 3 1 0 0 0 0
4 5 1 0 0 0 0
5 13 1 0 0 0 0
3 10 1 0 0 0 0
5 6 2 0 0 0 0
10 11 1 0 0 0 0
6 7 1 0 0 0 0
11 12 1 0 0 0 0
7 8 2 0 0 0 0
11 14 2 0 0 0 0
9 4 2 0 0 0 0
9 8 1 0 0 0 0
12 15 1 0 0 0 0
12 16 2 0 0 0 0
S SKP 7
ID BMCCID--j013
NAME 5-Hydroxy-indole-pyruvic acid
FORMULA C11H9NO4
EXACTMASS 219.0531
AVERAGEMASS 219.1935
SMILES Oc(c2)cc(c(c2)1)c(cn1)CC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05646
M END
