Mol:BMMCAS--d003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 17 18 0 0 0 0 0 0 0 0999 V2000 | + | 17 18 0 0 0 0 0 0 0 0999 V2000 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.0000 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 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.5000 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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5000 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 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 9 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 15 1 0 0 0 0 | + | 1 15 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCAS--d003 | + | ID BMMCAS--d003 |
| − | NAME 1-Chloro-2,2-bis(4'-chloro-phenyl)-ethylene | + | NAME 1-Chloro-2,2-bis(4'-chloro-phenyl)-ethylene |
| − | FORMULA C14H9Cl3 | + | FORMULA C14H9Cl3 |
| − | EXACTMASS 281.9769 | + | EXACTMASS 281.9769 |
| − | AVERAGEMASS 283.5793 | + | AVERAGEMASS 283.5793 |
| − | SMILES ClC=C(c(c2)ccc(Cl)c2)c(c1)ccc(Cl)c1 | + | SMILES ClC=C(c(c2)ccc(Cl)c2)c(c1)ccc(Cl)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06637 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06637 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
17 18 0 0 0 0 0 0 0 0999 V2000
6.3301 1.5000 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 0.0000 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 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 -0.5000 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 2.5000 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 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 3 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
9 2 1 0 0 0 0
2 3 1 0 0 0 0
6 16 1 0 0 0 0
2 1 2 0 0 0 0
3 4 2 0 0 0 0
12 17 1 0 0 0 0
4 5 1 0 0 0 0
1 15 1 0 0 0 0
S SKP 7
ID BMMCAS--d003
NAME 1-Chloro-2,2-bis(4'-chloro-phenyl)-ethylene
FORMULA C14H9Cl3
EXACTMASS 281.9769
AVERAGEMASS 283.5793
SMILES ClC=C(c(c2)ccc(Cl)c2)c(c1)ccc(Cl)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06637
M END
