Mol:LBF22307PG08
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 26 0 0 0 0 0 0 0 0999 V2000
9.0858 3.8649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7768 2.9139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5858 2.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3948 2.9139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.0858 3.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5858 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8257 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1315 2.9650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3884 3.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 3.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 3.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -3.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9159 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3459 2.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9236 1.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4980 4.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
3 6 1 6 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
2 7 1 1 0 0 0
6 15 1 0 0 0 0
15 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
1 26 1 6 0 0 0
20 21 1 0 0 0 0
4 24 1 6 0 0 0
9 25 1 1 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF22307PG08
FORMULA C22H41NO3
EXACTMASS 367.30864418299996
AVERAGEMASS 367.56588
SMILES C(CCCC)[C@@H](C=C[C@H]([C@H]1CC=CCCCCN(C)C)[C@@H](C[C@H](O)1)O)O
M END
</pre>
