Mol:LBF20406AM01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 25 0 0 0 0 0 0 0 0999 V2000
-4.3074 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3074 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4824 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4824 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7688 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0552 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7688 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0552 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2302 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2302 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7199 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1971 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1971 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6243 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6243 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3384 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6251 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2911 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0092 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7199 0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0166 -0.9306 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 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
24 26 2 0 0 0 0
S SKP 5
ID LBF20406AM01
FORMULA C22H35NO3
EXACTMASS 361.261693991
AVERAGEMASS 361.51824
SMILES C(CCCC=CCC=CCC=CCC=CCCCCC)(NCC(O)=O)=O
M END
