Mol:BMCCID--q004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 12 0 0 0 0 0 0 0 0999 V2000 | + | 11 12 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.3794 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3794 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3849 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3849 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7213 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7213 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5873 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5873 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4533 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4533 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4533 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4533 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5873 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5873 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7213 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7213 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8849 -1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8849 -1.9744 0.0000 O 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 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCID--q004 | + | ID BMCCID--q004 |
| − | NAME 2,3- | + | NAME 1H-Indole-2,3-diol |
| − | FORMULA C8H7NO2 | + | CAS_RN 5638-85-7 |
| − | EXACTMASS 149.0476 | + | FORMULA C8H7NO2 |
| − | AVERAGEMASS 149.1467 | + | EXACTMASS 149.0476 |
| − | SMILES Oc(n1)c(O)c(c2)c(ccc2)1 | + | AVERAGEMASS 149.1467 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02775 | + | SMILES Oc(n1)c(O)c(c2)c(ccc2)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02775 | ||
M END | M END | ||
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Latest revision as of 17:51, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
11 12 0 0 0 0 0 0 0 0999 V2000
4.3794 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3849 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7213 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5873 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4533 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4533 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5873 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7213 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8849 -1.9744 0.0000 O 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
2 11 1 0 0 0 0
S SKP 7
ID BMCCID--q004
NAME 1H-Indole-2,3-diol
CAS_RN 5638-85-7
FORMULA C8H7NO2
EXACTMASS 149.0476
AVERAGEMASS 149.1467
SMILES Oc(n1)c(O)c(c2)c(ccc2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02775
M END
