Mol:LBF22206SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
4.2460 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8180 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4230 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8180 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6960 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2285 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6510 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1835 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6885 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1660 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1760 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3465 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8140 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3640 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8315 -0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2440 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7390 -0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2340 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7840 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1965 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6118 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0243 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4230 -0.6634 0.0000 C 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
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 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
15 14 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 2 0 0 0 0
19 20 1 0 0 0 0
21 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF22206SC01
FORMULA C22H40O2
EXACTMASS 336.302830524
AVERAGEMASS 336.5518
SMILES C(CCC(O)=O)CCCCCCCCC=CCC=CCCCCC
M END
