Mol:COX00033
From Metabolomics.JP
5362033
CDK 9/16/09,17:2
49 50 0 0 0 0 0 0 0 0999 V2000
6.3301 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9673 3.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4321 2.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 3.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3701 2.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5706 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8993 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3577 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0289 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0887 3.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3451 3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -0.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0421 2.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4221 1.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5570 3.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 14 1 0 0 0 0
2 43 1 0 0 0 0
3 14 2 0 0 0 0
4 19 1 0 0 0 0
4 46 1 0 0 0 0
5 19 2 0 0 0 0
6 8 1 0 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
13 7 1 1 0 0 0
15 7 1 6 0 0 0
7 35 1 0 0 0 0
8 9 1 0 0 0 0
8 14 1 6 0 0 0
8 26 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 11 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
12 13 1 0 0 0 0
13 17 1 0 0 0 0
13 33 1 0 0 0 0
15 16 1 0 0 0 0
15 19 1 0 0 0 0
15 34 1 0 0 0 0
16 18 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 20 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 44 1 0 0 0 0
22 24 2 0 0 0 0
22 45 1 0 0 0 0
23 25 2 0 0 0 0
23 47 1 0 0 0 0
24 25 1 0 0 0 0
24 48 1 0 0 0 0
25 49 1 0 0 0 0
S SKP 6
NAME Enalaprilat
ID COX00033
FORMULA C18H24N2O5
EXACTMASS 348.168521888
AVERAGEMASS 348.39364
SMILES [H]OC(=O)C([H])(N([H])C([H])(C([H])([H])[H])C(=O)N(C([H])([H])2)C([H])(C(=O)O[H])C([H])([H])C([H])([H])2)C([H])([H])C([H])([H])c(c([H])1)c([H])c([H])c([H])c([H])1
M END
