Mol:LBF18206HP03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.4064 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5365 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0894 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5372 2.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1773 2.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 -0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 -1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1297 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7172 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8922 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
3 4 1 4 0 0 0
22 4 1 4 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
5 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
14 13 1 4 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
1 18 1 0 0 0 0
2 20 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 2 0 0 0 0
5 22 2 0 0 0 0
S SKP 5
ID LBF18206HP03
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCC=CC(OO)CC=CCCCCCCCC(O)=O
M END
</pre>
