Mol:BMCCCC--d004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14 15 2 0 0 0 0
14 13 1 0 0 0 0
13 12 2 0 0 0 0
12 17 1 0 0 0 0
16 15 1 0 0 0 0
17 16 2 0 0 0 0
17 11 1 0 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 16 1 0 0 0 0
8 7 2 0 0 0 0
11 21 2 0 0 0 0
2 1 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
6 20 1 0 0 0 0
2 19 1 0 0 0 0
1 18 1 0 0 0 0
4 7 1 0 0 0 0
S SKP 7
ID BMCCCC--d004
NAME 4- (3,5-Dichloro-4-hydroxyphenyl) imino-2,3-dihydronaphthalen-1-one
CAS_RN 94994-91-9
FORMULA C16H11Cl2NO2
EXACTMASS 319.0166
AVERAGEMASS 320.1694
SMILES O=C(C2)c(c3)c(ccc3)C(C2)=Nc(c1)cc(Cl)c(O)c(Cl)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01285
M END
