Mol:LBF18206HP05
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.4064 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3477 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8860 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0603 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4597 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1152 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7026 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8776 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 -0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -1.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 -1.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 2.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 1.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3484 2.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6339 2.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8860 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4597 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 21 1 4 0 0 0
3 4 1 0 0 0 0
22 4 1 4 0 0 0
1 6 1 0 0 0 0
2 8 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
5 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 4 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 2 0 0 0 0
5 22 2 0 0 0 0
S SKP 5
ID LBF18206HP05
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCC(OO)C=CCC=CCCCCCCCC(O)=O
M END
</pre>
