Mol:LBF20806SF01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 32 0 0 0 0 0 0 0 0999 V2000 | + | 32 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -5.0218 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0218 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0218 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0218 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1968 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1968 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1968 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1968 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4832 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4832 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7696 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7696 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9446 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9446 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4343 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4343 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2309 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2309 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5173 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5173 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4832 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4832 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7696 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7696 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1963 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1963 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9099 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9099 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6235 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6235 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9446 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9446 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2309 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2309 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5173 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5173 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1963 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1963 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9099 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9099 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6240 -0.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6240 -0.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9107 0.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9107 0.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5767 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5767 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2984 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2984 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0054 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0054 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0054 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0054 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2984 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2984 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5767 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5767 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7180 0.9351 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7180 0.9351 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4343 0.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4343 0.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5044 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5044 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3013 1.5185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3013 1.5185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 3 2 0 0 0 0 | + | 1 3 2 0 0 0 0 |
| − | 2 4 2 0 0 0 0 | + | 2 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 9 7 1 0 0 0 0 | + | 9 7 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 13 10 1 0 0 0 0 | + | 13 10 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 12 16 2 0 0 0 0 | + | 12 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20806SF01 | + | ID LBF20806SF01 |
| − | FORMULA C26H38N2O3S | + | FORMULA C26H38N2O3S |
| − | EXACTMASS 458.260313782 | + | EXACTMASS 458.260313782 |
| − | AVERAGEMASS 458.6576 | + | AVERAGEMASS 458.6576 |
| − | SMILES C(CCC)CC=CCC=CCC=CCC=CCCCC(Nc(c1)ccc(c1)S(N)(=O)=O)=O | + | SMILES C(CCC)CC=CCC=CCC=CCC=CCCCC(Nc(c1)ccc(c1)S(N)(=O)=O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 32 0 0 0 0 0 0 0 0999 V2000
-5.0218 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0218 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1968 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1968 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4832 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7696 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9446 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4343 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5173 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4832 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7696 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1963 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9099 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6235 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9446 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5173 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1963 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9099 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6240 -0.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 0.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5767 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2984 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0054 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0054 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2984 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5767 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7180 0.9351 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4343 0.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5044 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3013 1.5185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
2 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
2 8 1 0 0 0 0
1 8 1 0 0 0 0
9 7 1 0 0 0 0
9 10 1 0 0 0 0
3 11 1 0 0 0 0
11 12 1 0 0 0 0
13 10 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
12 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 2 0 0 0 0
29 32 1 0 0 0 0
S SKP 5
ID LBF20806SF01
FORMULA C26H38N2O3S
EXACTMASS 458.260313782
AVERAGEMASS 458.6576
SMILES C(CCC)CC=CCC=CCC=CCC=CCCCC(Nc(c1)ccc(c1)S(N)(=O)=O)=O
M END
