Mol:BMCCID--k026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 16 0 0 1 0 0 0 0 0999 V2000 | + | 15 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 2.6180 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 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 12 7 1 0 0 0 0 | + | 12 7 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 11 1 0 0 0 0 | + | 4 11 1 0 0 0 0 |
| − | 12 6 1 0 0 0 0 | + | 12 6 1 0 0 0 0 |
| − | 6 3 1 0 0 0 0 | + | 6 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 15 1 4 0 0 0 | + | 2 15 1 4 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 1 13 2 0 0 0 0 | + | 1 13 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCID--k026 | + | ID BMCCID--k026 |
| − | NAME Indole-lactic acid | + | NAME Indole-lactic acid |
| − | FORMULA C11H11NO3 | + | FORMULA C11H11NO3 |
| − | EXACTMASS 205.0738 | + | EXACTMASS 205.0738 |
| − | AVERAGEMASS 205.2099 | + | AVERAGEMASS 205.2099 |
| − | SMILES OC(=O)C(O)Cc(c1)c(c2)c(ccc2)n1 | + | SMILES OC(=O)C(O)Cc(c1)c(c2)c(ccc2)n1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02043 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02043 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 16 0 0 1 0 0 0 0 0999 V2000
2.9781 -1.5879 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
4.2653 -0.4290 0.0000 C 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
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
2.0000 -1.7959 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
2.6180 0.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 7 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
12 7 1 0 0 0 0
11 12 2 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 11 1 0 0 0 0
12 6 1 0 0 0 0
6 3 1 0 0 0 0
3 2 1 0 0 0 0
2 15 1 4 0 0 0
1 14 1 0 0 0 0
1 13 2 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMCCID--k026
NAME Indole-lactic acid
FORMULA C11H11NO3
EXACTMASS 205.0738
AVERAGEMASS 205.2099
SMILES OC(=O)C(O)Cc(c1)c(c2)c(ccc2)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02043
M END
