Mol:BMCCID--k016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 17 0 0 1 0 0 0 0 0999 V2000 | + | 16 17 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5743 2.1401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5743 2.1401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9865 1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9865 1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5743 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5743 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3914 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3914 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2574 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2574 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2574 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2574 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3914 2.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3914 2.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5254 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5254 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5254 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5254 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2653 -0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2653 -0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 -0.6369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.2872 -0.6369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 -1.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -1.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1235 2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1235 2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6180 0.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6180 0.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 -2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 -2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.7959 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 |
| − | 6 13 1 0 0 0 0 | + | 6 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 1 4 0 0 0 | + | 11 14 1 4 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--k016 | + | ID BMCCID--k016 |
| − | NAME 6-Hydroxy-indole-lactic acid | + | NAME 6-Hydroxy-indole-lactic acid |
| − | FORMULA C11H11NO4 | + | FORMULA C11H11NO4 |
| − | EXACTMASS 221.0688 | + | EXACTMASS 221.0688 |
| − | AVERAGEMASS 221.2093 | + | AVERAGEMASS 221.2093 |
| − | SMILES Oc(c2)cc(n1)c(c2)c(c1)CC(O)C(O)=O | + | SMILES Oc(c2)cc(n1)c(c2)c(c1)CC(O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05657 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05657 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 17 0 0 1 0 0 0 0 0999 V2000
4.5743 2.1401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9865 1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3914 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2574 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2574 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3914 2.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5254 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5254 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 -0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 -0.6369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.9781 -1.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1235 2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6180 0.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7959 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
6 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 1 4 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--k016
NAME 6-Hydroxy-indole-lactic acid
FORMULA C11H11NO4
EXACTMASS 221.0688
AVERAGEMASS 221.2093
SMILES Oc(c2)cc(n1)c(c2)c(c1)CC(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05657
M END
