Mol:LBF20806SF03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 34 0 0 0 0 0 0 0 0999 V2000 | + | 34 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -5.7183 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7183 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7183 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7183 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8933 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8933 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8933 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8933 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1797 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1797 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4661 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4661 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6411 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6411 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1308 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1308 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9274 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9274 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2138 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2138 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1797 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1797 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4661 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4661 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5002 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5002 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2134 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2134 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9270 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9270 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6411 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6411 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9274 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9274 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2138 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2138 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5002 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5002 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2134 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2134 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9275 -0.6097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9275 -0.6097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2142 0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2142 0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6420 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6420 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3565 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3565 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0709 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0709 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7854 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7854 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4999 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4999 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4999 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4999 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7854 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7854 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0709 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0709 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2143 1.0403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2143 1.0403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6310 1.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6310 1.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7977 0.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7977 0.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1308 1.0317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1308 1.0317 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 1 0 0 0 0 | + | 23 24 1 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 2 0 0 0 0 | + | 31 33 2 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20806SF03 | + | ID LBF20806SF03 |
| − | FORMULA C28H42N2O3S | + | FORMULA C28H42N2O3S |
| − | EXACTMASS 486.29161391 | + | EXACTMASS 486.29161391 |
| − | AVERAGEMASS 486.71076000000005 | + | AVERAGEMASS 486.71076000000005 |
| − | SMILES C(=CCCCC(=O)NCCc(c1)ccc(S(N)(=O)=O)c1)CC=CCC=CCC=CCCCCC | + | SMILES C(=CCCCC(=O)NCCc(c1)ccc(S(N)(=O)=O)c1)CC=CCC=CCC=CCCCCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 34 0 0 0 0 0 0 0 0999 V2000
-5.7183 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7183 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8933 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8933 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1797 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4661 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6411 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1308 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9274 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2138 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1797 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4661 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5002 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2134 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9270 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6411 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9274 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2138 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5002 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2134 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9275 -0.6097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2142 0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6420 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3565 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0709 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7854 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4999 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4999 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7854 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0709 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2143 1.0403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6310 1.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7977 0.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1308 1.0317 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 1 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 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 2 0 0 0 0
31 34 1 0 0 0 0
S SKP 5
ID LBF20806SF03
FORMULA C28H42N2O3S
EXACTMASS 486.29161391
AVERAGEMASS 486.71076000000005
SMILES C(=CCCCC(=O)NCCc(c1)ccc(S(N)(=O)=O)c1)CC=CCC=CCC=CCCCCC
M END
