Mol:Test
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 1 0 0 0 0 0999 V2000 3.7321 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0881 ...) |
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| Line 95: | Line 95: | ||
32 36 1 0 0 0 0 | 32 36 1 0 0 0 0 | ||
37 36 1 0 0 0 0 | 37 36 1 0 0 0 0 | ||
| − | S SKP | + | S SKP 6 |
ID Test | ID Test | ||
| + | AUTODRAW true | ||
FORMULA C21H29N7O14P2 | FORMULA C21H29N7O14P2 | ||
EXACTMASS 665.124771691 | EXACTMASS 665.124771691 | ||
Revision as of 11:16, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 1 0 0 0 0 0999 V2000
3.7321 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 -0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 -0.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -1.1332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -2.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -2.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -1.9422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -2.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0718 -2.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -3.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 -1.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5849 1.0078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.0849 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0849 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5849 1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0849 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0849 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5849 2.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0849 3.6058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.5849 2.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5849 1.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8418 1.6769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.9757 1.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.1836 0.1987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5145 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9463 2.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0622 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1782 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5364 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8672 -1.0796 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
10.6104 -1.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1241 -0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1981 -1.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2200 -1.6149 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.0120 -2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4279 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -1.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
31 35 1 6 0 0 0
31 30 1 0 0 0 0
28 35 1 6 0 0 0
30 29 1 0 0 0 0
28 29 1 0 0 0 0
31 32 1 0 0 0 0
29 33 1 1 0 0 0
21 22 1 0 0 0 0
21 20 2 0 0 0 0
20 19 1 0 0 0 0
19 24 1 0 0 0 0
24 23 2 0 0 0 0
23 22 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
21 25 1 0 0 0 0
30 34 1 1 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
41 44 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
14 18 1 6 0 0 0
14 13 1 0 0 0 0
11 18 1 6 0 0 0
13 12 1 0 0 0 0
11 12 1 0 0 0 0
14 15 1 0 0 0 0
15 44 1 0 0 0 0
12 16 1 1 0 0 0
13 17 1 1 0 0 0
28 19 1 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 6 2 0 0 0 0
6 5 1 0 0 0 0
4 5 2 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
6 10 1 0 0 0 0
11 9 1 0 0 0 0
32 36 1 0 0 0 0
37 36 1 0 0 0 0
S SKP 6
ID Test
AUTODRAW true
FORMULA C21H29N7O14P2
EXACTMASS 665.124771691
AVERAGEMASS 665.4412619999999
SMILES NC(=O)C(C5)=CN(C=C5)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2n(c4)c(n3)c(n4)c(N)nc3)1
M END
