Mol:LBF161nnPG01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000
2.5878 1.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 0.1230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8968 0.7108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5878 1.6619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1756 2.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 -0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2147 -1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1658 -2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3737 -3.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3248 -3.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5327 -4.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3566 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -0.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 -0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7895 -5.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4837 -4.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3511 4.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9499 5.1070 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
1 5 1 0 0 0 0
5 6 1 6 0 0 0
6 7 1 0 0 0 0
3 17 1 6 0 0 0
4 8 1 1 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
1 18 2 0 0 0 0
10 19 2 0 0 0 0
7 16 1 0 0 0 0
15 20 1 0 0 0 0
15 21 2 0 0 0 0
16 22 1 0 0 0 0
16 23 2 0 0 0 0
S SKP 5
ID LBF161nnPG01
FORMULA C16H24O7
EXACTMASS 328.152203122
AVERAGEMASS 328.35756000000003
SMILES OC(=O)CCCCC(=O)CC[C@@H]([C@H](O)1)[C@@H](CCC(O)=O)C(=O)C1
M END
</pre>
