Mol:COX00092
From Metabolomics.JP
5701990
CDK 9/16/09,17:14
57 60 0 0 0 0 0 0 0 0999 V2000
8.6500 1.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2963 0.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3931 -0.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3931 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5271 -1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6610 -0.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7510 -1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5271 0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6610 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3393 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3393 -1.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5431 -2.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9229 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7430 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3931 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6451 -2.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8242 -0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7587 -0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 -1.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8076 -2.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 -2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6285 1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9391 2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9176 2.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4587 -1.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0664 -1.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1980 -0.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9256 1.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1285 1.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4490 0.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0505 0.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9019 0.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0883 -1.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8767 -1.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7612 -2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1523 -2.1860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3838 -0.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3838 0.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0131 1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3931 1.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7731 1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2478 -3.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0460 -3.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2324 -0.2361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4343 -0.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3787 -0.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7635 0.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1388 -0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6718 -0.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2647 -1.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -3.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9186 3.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3253 2.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0455 2.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5243 2.9861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7898 3.4649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11 1 1 1 0 0 0
1 23 1 0 0 0 0
2 22 2 0 0 0 0
3 23 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 12 1 0 0 0 0
4 26 1 0 0 0 0
5 9 1 0 0 0 0
5 11 1 0 0 0 0
5 16 1 1 0 0 0
6 7 1 0 0 0 0
6 13 1 0 0 0 0
6 27 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 28 1 0 0 0 0
8 15 1 0 0 0 0
8 18 1 0 0 0 0
8 19 1 1 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 14 1 0 0 0 0
11 33 1 0 0 0 0
12 14 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 17 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 17 1 0 0 0 0
15 21 2 0 0 0 0
16 40 1 0 0 0 0
16 41 1 0 0 0 0
16 42 1 0 0 0 0
17 43 1 0 0 0 0
17 44 1 0 0 0 0
18 20 1 0 0 0 0
18 45 1 0 0 0 0
18 46 1 0 0 0 0
19 47 1 0 0 0 0
19 48 1 0 0 0 0
19 49 1 0 0 0 0
20 22 1 0 0 0 0
20 50 1 0 0 0 0
20 51 1 0 0 0 0
21 22 1 0 0 0 0
21 52 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 53 1 0 0 0 0
24 54 1 0 0 0 0
25 55 1 0 0 0 0
25 56 1 0 0 0 0
25 57 1 0 0 0 0
S SKP 6
NAME Testosterone_Propionate
ID COX00092
FORMULA C22H32O3
EXACTMASS 344.23514489
AVERAGEMASS 344.48768
SMILES [H]C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])4)C(C([H])([H])[H])(C([H])([H])3)C([H])(C([H])([H])4)C([H])(C([H])([H])1)C([H])(C([H])([H])3)C(C([H])([H])[H])(C([H])([H])2)C(=C([H])C(=O)C([H])([H])2)C([H])([H])1
M END
