Mol:BMCCID--k014
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 0 0 0 0 0 0999 V2000 | + | 15 16 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.9563 1.7685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9563 1.7685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3685 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3685 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9563 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9563 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7734 -0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7734 -0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6394 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6394 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6394 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6394 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7734 1.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7734 1.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9074 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9074 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9074 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9074 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 -0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 -0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6691 -1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6691 -1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3601 -1.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3601 -1.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3715 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3715 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5054 -0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5054 -0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 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 |
| − | 5 15 1 0 0 0 0 | + | 5 15 1 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 3 10 1 0 0 0 0 | + | 3 10 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 4 2 0 0 0 0 | + | 9 4 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCID--k014 | + | ID BMCCID--k014 |
| − | NAME 5-Methoxy-indole-acetic acid | + | NAME 5-Methoxy-indole-acetic acid |
| − | FORMULA C11H11NO3 | + | FORMULA C11H11NO3 |
| − | EXACTMASS 205.0738 | + | EXACTMASS 205.0738 |
| − | AVERAGEMASS 205.2099 | + | AVERAGEMASS 205.2099 |
| − | SMILES COc(c2)cc(c(c2)1)c(cn1)CC(O)=O | + | SMILES COc(c2)cc(c(c2)1)c(cn1)CC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05660 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05660 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 16 0 0 0 0 0 0 0 0999 V2000
3.9563 1.7685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3685 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9563 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7734 -0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6394 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6394 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7734 1.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9074 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9074 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3601 -1.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3715 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5054 -0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 8 1 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
5 15 1 0 0 0 0
15 14 1 0 0 0 0
5 6 2 0 0 0 0
3 10 1 0 0 0 0
6 7 1 0 0 0 0
10 11 1 0 0 0 0
7 8 2 0 0 0 0
9 4 2 0 0 0 0
11 13 1 0 0 0 0
11 12 2 0 0 0 0
S SKP 7
ID BMCCID--k014
NAME 5-Methoxy-indole-acetic acid
FORMULA C11H11NO3
EXACTMASS 205.0738
AVERAGEMASS 205.2099
SMILES COc(c2)cc(c(c2)1)c(cn1)CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05660
M END
