Mol:LBF20806SF02
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 |
| − | -5.2400 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2400 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2400 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2400 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4150 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4150 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4150 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4150 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7014 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7014 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9878 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9878 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1628 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1628 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6525 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6525 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4491 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4491 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7355 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7355 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7014 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7014 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9878 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9878 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0219 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0219 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6917 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6917 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4053 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4053 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1628 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1628 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4491 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4491 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7355 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7355 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0219 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0219 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6917 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6917 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4058 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4058 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6925 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6925 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1203 0.3004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1203 0.3004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1203 1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1203 1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1203 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1203 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1775 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1775 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5900 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5900 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4150 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4150 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8275 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8275 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4150 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4150 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5900 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5900 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6525 0.2918 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6525 0.2918 0.0000 Br 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 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 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 LBF20806SF02 | + | ID LBF20806SF02 |
| − | FORMULA C26H36BrNO3S | + | FORMULA C26H36BrNO3S |
| − | EXACTMASS 521.1599273129999 | + | EXACTMASS 521.1599273129999 |
| − | AVERAGEMASS 522.5389799999999 | + | AVERAGEMASS 522.5389799999999 |
| − | SMILES C(CCC)CC=CCC=CCC=CCC=CCCCC(NS(=O)(=O)c(c1)ccc(c1)Br)=O | + | SMILES C(CCC)CC=CCC=CCC=CCC=CCCCC(NS(=O)(=O)c(c1)ccc(c1)Br)=O |
M END | M END | ||
| − | |||
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
-5.2400 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2400 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4150 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4150 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7014 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1628 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6525 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4491 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7355 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7014 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0219 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6917 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4053 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1628 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4491 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7355 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0219 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6917 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4058 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6925 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1203 0.3004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.1203 1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1203 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1775 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5900 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4150 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8275 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4150 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5900 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6525 0.2918 0.0000 Br 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
23 25 2 0 0 0 0
23 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 5
ID LBF20806SF02
FORMULA C26H36BrNO3S
EXACTMASS 521.1599273129999
AVERAGEMASS 522.5389799999999
SMILES C(CCC)CC=CCC=CCC=CCC=CCCCC(NS(=O)(=O)c(c1)ccc(c1)Br)=O
M END
