Mol:COX00100
From Metabolomics.JP
5456
CDK 9/16/09,17:16
92 93 0 0 0 0 0 0 0 0999 V2000
2.8660 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 C 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
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 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
9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 0.5000 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
15.8564 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5885 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4545 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
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3205 0.0000 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
3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1865 0.5000 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
3.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 1.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 1.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2932 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3671 -0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 -0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3671 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1401 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2932 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1995 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7908 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8598 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5229 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5919 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3889 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2549 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4579 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1210 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3239 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9870 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1899 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0560 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8530 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7190 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.9220 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.4965 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7235 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.8765 1.0369 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
2.3100 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 35 1 0 0 0 0
1 37 1 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
2 9 1 0 0 0 0
2 10 1 0 0 0 0
3 12 1 0 0 0 0
3 18 1 0 0 0 0
3 21 1 0 0 0 0
4 21 2 0 0 0 0
4 30 1 0 0 0 0
5 21 1 0 0 0 0
5 31 2 0 0 0 0
6 8 1 0 0 0 0
6 38 1 0 0 0 0
6 39 1 0 0 0 0
7 12 1 0 0 0 0
7 40 1 0 0 0 0
7 41 1 0 0 0 0
8 11 1 0 0 0 0
8 42 1 0 0 0 0
8 43 1 0 0 0 0
9 44 1 0 0 0 0
9 45 1 0 0 0 0
9 46 1 0 0 0 0
10 47 1 0 0 0 0
10 48 1 0 0 0 0
10 49 1 0 0 0 0
11 13 1 0 0 0 0
11 50 1 0 0 0 0
11 51 1 0 0 0 0
12 52 1 0 0 0 0
12 53 1 0 0 0 0
13 14 1 0 0 0 0
13 54 1 0 0 0 0
13 55 1 0 0 0 0
14 15 1 0 0 0 0
14 56 1 0 0 0 0
14 57 1 0 0 0 0
15 16 1 0 0 0 0
15 58 1 0 0 0 0
15 59 1 0 0 0 0
16 17 1 0 0 0 0
16 60 1 0 0 0 0
16 61 1 0 0 0 0
17 19 1 0 0 0 0
17 62 1 0 0 0 0
17 63 1 0 0 0 0
18 24 1 0 0 0 0
18 64 1 0 0 0 0
18 65 1 0 0 0 0
19 20 1 0 0 0 0
19 66 1 0 0 0 0
19 67 1 0 0 0 0
20 22 1 0 0 0 0
20 68 1 0 0 0 0
20 69 1 0 0 0 0
22 23 1 0 0 0 0
22 70 1 0 0 0 0
22 71 1 0 0 0 0
23 25 1 0 0 0 0
23 72 1 0 0 0 0
23 73 1 0 0 0 0
24 27 2 0 0 0 0
24 28 1 0 0 0 0
25 26 1 0 0 0 0
25 74 1 0 0 0 0
25 75 1 0 0 0 0
26 29 1 0 0 0 0
26 76 1 0 0 0 0
26 77 1 0 0 0 0
27 32 1 0 0 0 0
27 78 1 0 0 0 0
28 33 2 0 0 0 0
28 79 1 0 0 0 0
29 34 1 0 0 0 0
29 80 1 0 0 0 0
29 81 1 0 0 0 0
30 36 2 0 0 0 0
30 82 1 0 0 0 0
31 36 1 0 0 0 0
31 83 1 0 0 0 0
32 35 2 0 0 0 0
32 84 1 0 0 0 0
33 35 1 0 0 0 0
33 85 1 0 0 0 0
34 86 1 0 0 0 0
34 87 1 0 0 0 0
34 88 1 0 0 0 0
36 89 1 0 0 0 0
37 90 1 0 0 0 0
37 91 1 0 0 0 0
37 92 1 0 0 0 0
M CHG 1 2 1
S SKP 1
NAME Thonizide
M END
