Mol:LBF20806SF03
From Metabolomics.JP
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
