Mol:BMMCAS--d001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
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 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 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 -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
4.5981 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
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
5.4641 3.0000 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
2.8660 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 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 19 1 0 0 0 0
2 1 2 0 0 0 0
3 4 2 0 0 0 0
1 16 1 0 0 0 0
4 5 1 0 0 0 0
1 15 1 0 0 0 0
5 6 2 0 0 0 0
12 20 1 0 0 0 0
6 7 1 0 0 0 0
4 17 1 0 0 0 0
7 8 2 0 0 0 0
5 18 1 0 0 0 0
S SKP 7
ID BMMCAS--d001
NAME 1,1-Dichloro-2-(dihydroxy-4'-chorophenyl)-2-(4'-chlorophenyl)-ethylene
FORMULA C14H8Cl4O2
EXACTMASS 347.9278
AVERAGEMASS 350.0229
SMILES Clc(c2)ccc(c2)C(=C(Cl)Cl)c(c1)c(O)c(O)c(Cl)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06644
M END
</pre>
