Mol:COX00040
From Metabolomics.JP
3343
CDK 9/16/09,17:3
43 44 0 0 0 0 0 0 0 0999 V2000
2.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 N 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 2.0000 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
3.7321 -1.0000 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 2.5000 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
6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 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
4.5981 -2.5000 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
2.8660 -3.5000 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 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2521 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0201 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6401 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 37 1 0 0 0 0
2 17 1 0 0 0 0
2 41 1 0 0 0 0
3 18 1 0 0 0 0
3 42 1 0 0 0 0
4 21 1 0 0 0 0
4 43 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 28 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 23 1 0 0 0 0
7 11 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 9 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 12 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 19 1 0 0 0 0
13 33 1 0 0 0 0
14 20 2 0 0 0 0
14 34 1 0 0 0 0
15 18 1 0 0 0 0
15 35 1 0 0 0 0
16 17 2 0 0 0 0
16 36 1 0 0 0 0
17 22 1 0 0 0 0
18 22 2 0 0 0 0
19 21 2 0 0 0 0
19 38 1 0 0 0 0
20 21 1 0 0 0 0
20 39 1 0 0 0 0
22 40 1 0 0 0 0
S SKP 6
NAME Fenoterol
ID COX00040
FORMULA C17H21NO4
EXACTMASS 303.147058165
AVERAGEMASS 303.35298
SMILES [H]Oc(c([H])2)c([H])c([H])c(c([H])2)C([H])([H])C([H])(C([H])([H])[H])N([H])C([H])([H])C([H])(O[H])c(c([H])1)c([H])c(O[H])c([H])c(O[H])1
M END
