Mol:BMCCID--n007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 13 0 0 0 0 0 0 0 0999 V2000 | + | 12 13 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.0267 -1.4368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0267 -1.4368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0322 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0322 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6254 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6254 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3686 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3686 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2346 1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2346 1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1006 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1006 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1006 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1006 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2346 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2346 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3686 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3686 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 -0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 -0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.9551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.9551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 9 3 1 0 0 0 0 | + | 9 3 1 0 0 0 0 |
| − | 3 10 1 0 0 0 0 | + | 3 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 3 0 0 0 0 | + | 11 12 3 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCID--n007 | + | ID BMCCID--n007 |
| − | NAME 3-Indole-acetonitrile | + | NAME 3-Indole-acetonitrile |
| − | FORMULA C10H8N2 | + | FORMULA C10H8N2 |
| − | EXACTMASS 156.0687 | + | EXACTMASS 156.0687 |
| − | AVERAGEMASS 156.184 | + | AVERAGEMASS 156.184 |
| − | SMILES N#CCc(c1)c(c2)c(ccc2)n1 | + | SMILES N#CCc(c1)c(c2)c(ccc2)n1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02938 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02938 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 13 0 0 0 0 0 0 0 0999 V2000
6.0267 -1.4368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0322 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6254 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3686 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2346 1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1006 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1006 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2346 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3686 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9551 0.0000 N 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
6 7 2 0 0 0 0
7 8 1 0 0 0 0
9 4 1 0 0 0 0
8 9 2 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 8 1 0 0 0 0
9 3 1 0 0 0 0
3 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 3 0 0 0 0
S SKP 7
ID BMCCID--n007
NAME 3-Indole-acetonitrile
FORMULA C10H8N2
EXACTMASS 156.0687
AVERAGEMASS 156.184
SMILES N#CCc(c1)c(c2)c(ccc2)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02938
M END
