Mol:BMAXS2AKt002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 19 0 0 0 0 0 0 0 0999 V2000 | + | 18 19 0 0 0 0 0 0 0 0999 V2000 |
| − | 5.8615 2.7196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8615 2.7196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2737 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2737 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8615 1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8615 1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5446 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5446 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5446 2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5446 2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8126 2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8126 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5525 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5525 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5743 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5743 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2653 -1.0085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2653 -1.0085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 -1.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2872 -1.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 -2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4106 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4106 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9052 0.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9052 0.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 -2.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 -2.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 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 15 1 0 0 0 0 | + | 5 15 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 16 2 0 0 0 0 | + | 11 16 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 9 4 2 0 0 0 0 | + | 9 4 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 8 1 1 0 0 0 0 | + | 8 1 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 14 18 2 0 0 0 0 | + | 14 18 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXS2AKt002 | + | ID BMAXS2AKt002 |
| − | NAME 5-Hydroxy-indole-acetylglycine | + | NAME 5-Hydroxy-indole-acetylglycine |
| − | FORMULA C12H12N2O4 | + | FORMULA C12H12N2O4 |
| − | EXACTMASS 248.0797 | + | EXACTMASS 248.0797 |
| − | AVERAGEMASS 248.2347 | + | AVERAGEMASS 248.2347 |
| − | SMILES OC(=O)CNC(=O)Cc(c1)c(c2)c(ccc(O)2)n1 | + | SMILES OC(=O)CNC(=O)Cc(c1)c(c2)c(ccc(O)2)n1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05832 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05832 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 0 0 0 0 0 0999 V2000
5.8615 2.7196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2737 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5525 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 -1.0085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 -1.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 -2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4106 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9052 0.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -2.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 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 15 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 16 2 0 0 0 0
7 8 2 0 0 0 0
11 12 1 0 0 0 0
9 4 2 0 0 0 0
12 13 1 0 0 0 0
9 8 1 0 0 0 0
13 14 1 0 0 0 0
8 1 1 0 0 0 0
14 17 1 0 0 0 0
1 2 1 0 0 0 0
14 18 2 0 0 0 0
S SKP 7
ID BMAXS2AKt002
NAME 5-Hydroxy-indole-acetylglycine
FORMULA C12H12N2O4
EXACTMASS 248.0797
AVERAGEMASS 248.2347
SMILES OC(=O)CNC(=O)Cc(c1)c(c2)c(ccc(O)2)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05832
M END
