Mol:BMMCACDEq010
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 25 0 0 1 0 0 0 0 0999 V2000 | + | 25 25 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 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 |
| − | 1 24 1 4 0 0 0 | + | 1 24 1 4 0 0 0 |
| − | 4 25 1 4 0 0 0 | + | 4 25 1 4 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 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 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACDEq010 | + | ID BMMCACDEq010 |
| − | NAME | + | NAME 2,3-Dimethyl-5- (3-methylbut-2-enyl) benzene-1,4-diol |
| − | FORMULA C23H36O2 | + | CAS_RN 58700-70-2 |
| − | EXACTMASS 344.2715 | + | FORMULA C23H36O2 |
| − | AVERAGEMASS 344.5307 | + | EXACTMASS 344.2715 |
| − | SMILES C(=C1CC=C(CCC=C(C)CCC=C(C)C)C)C(C(C)=C(C1O)C)O | + | AVERAGEMASS 344.5307 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02185 | + | SMILES C(=C1CC=C(CCC=C(C)CCC=C(C)C)C)C(C(C)=C(C1O)C)O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02185 | ||
M END | M END | ||
| − | |||
Latest revision as of 15:25, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
4.5981 4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 0 0 0 0
6 5 2 0 0 0 0
5 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
1 24 1 4 0 0 0
4 25 1 4 0 0 0
6 23 1 0 0 0 0
5 22 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
9 19 1 0 0 0 0
13 20 1 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 21 1 0 0 0 0
17 18 1 0 0 0 0
S SKP 7
ID BMMCACDEq010
NAME 2,3-Dimethyl-5- (3-methylbut-2-enyl) benzene-1,4-diol
CAS_RN 58700-70-2
FORMULA C23H36O2
EXACTMASS 344.2715
AVERAGEMASS 344.5307
SMILES C(=C1CC=C(CCC=C(C)CCC=C(C)C)C)C(C(C)=C(C1O)C)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02185
M END
