Mol:LBF20406AM38
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 25 0 0 0 0 0 0 0 0999 V2000
7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -6.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -8.5000 0.0000 O 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
6 10 2 0 0 0 0
9 11 1 0 0 0 0
2 12 1 0 0 0 0
1 12 1 0 0 0 0
11 13 1 0 0 0 0
14 10 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 25 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 26 1 1 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF20406AM38
FORMULA C23H39NO2
EXACTMASS 361.298079497
AVERAGEMASS 361.5613
SMILES C(CCC=CCC=CCC=CCC=CCCCCC)C(NC[C@H](C)O)=O
M END
