Mol:LBF24000HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 26 0 0 1 0 0 0 0 0999 V2000
-3.6713 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2313 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8188 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4613 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0762 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6638 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3338 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9213 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5637 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1787 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1238 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4537 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8388 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2513 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5538 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8563 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2413 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6263 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0113 -0.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3963 0.0688 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.8087 -0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0838 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4962 -0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0838 0.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0838 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4962 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3963 0.8938 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 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
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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
20 27 1 4 0 0 0
S SKP 5
ID LBF24000HO01
FORMULA C24H48O3
EXACTMASS 384.360345402
AVERAGEMASS 384.63612
SMILES C(CCCCC(O)CC(O)=O)CCCCCCCCCCCCCCCC
M END
