Mol:COX00093
From Metabolomics.JP
5411
CDK 9/16/09,17:15
43 43 0 0 0 0 0 0 0 0999 V2000
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 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
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6401 4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0201 5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9081 5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 17 1 0 0 0 0
2 17 2 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
3 26 1 0 0 0 0
4 9 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 22 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 13 2 0 0 0 0
8 14 1 0 0 0 0
9 10 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
12 17 1 0 0 0 0
13 15 1 0 0 0 0
13 34 1 0 0 0 0
14 16 2 0 0 0 0
14 35 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
18 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
19 41 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
S SKP 6
NAME Tetracaine
ID COX00093
FORMULA C15H24N2O2
EXACTMASS 264.183778022
AVERAGEMASS 264.36334000000005
SMILES [H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])c(c([H])1)c([H])c([H])c(C(=O)OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])c([H])1
M END
