Mol:BMMCQN--s003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 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 |
| − | 9 1 1 0 0 0 0 | + | 9 1 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 1 21 2 0 0 0 0 | + | 1 21 2 0 0 0 0 |
| − | 4 22 2 0 0 0 0 | + | 4 22 2 0 0 0 0 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCQN--s003 | + | ID BMMCQN--s003 |
| − | NAME 2-Demethyl-menaquinone | + | NAME 2-Demethyl-menaquinone |
| − | FORMULA C20H22O2 | + | FORMULA C20H22O2 |
| − | EXACTMASS 294.1619 | + | EXACTMASS 294.1619 |
| − | AVERAGEMASS 294.3874 | + | AVERAGEMASS 294.3874 |
| − | SMILES CC(CCC=C(C)C)=CCc(c1)c(c(c2)c(ccc2)c1=O)=O | + | SMILES CC(CCC=C(C)C)=CCc(c1)c(c(c2)c(ccc2)c1=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05818 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05818 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
9 1 1 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
7 6 1 0 0 0 0
6 5 2 0 0 0 0
10 5 1 0 0 0 0
1 21 2 0 0 0 0
4 22 2 0 0 0 0
3 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 20 1 0 0 0 0
17 18 1 0 0 0 0
13 19 1 0 0 0 0
S SKP 7
ID BMMCQN--s003
NAME 2-Demethyl-menaquinone
FORMULA C20H22O2
EXACTMASS 294.1619
AVERAGEMASS 294.3874
SMILES CC(CCC=C(C)C)=CCc(c1)c(c(c2)c(ccc2)c1=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05818
M END
