Mol:LBF16202HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
-3.8187 -0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3457 -0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5579 -0.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5441 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3210 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8704 0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1555 0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8993 -1.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1844 -0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4694 -1.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2456 -0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9606 -1.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6755 -0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3905 -1.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5341 1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4763 -1.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4418 0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2727 0.2463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1042 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1042 0.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8187 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8187 -1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1216 1.9618 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
4 6 1 4 0 0 0
6 7 2 0 0 0 0
3 8 1 4 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
5 15 1 4 0 0 0
2 16 2 0 0 0 0
7 17 1 0 0 0 0
17 18 2 0 0 0 0
14 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
S SKP 5
ID LBF16202HO01
FORMULA C17H26O6
EXACTMASS 326.172938564
AVERAGEMASS 326.38473999999997
SMILES O=CC=CC(C(OO)1)C(CCCCCCCC(=O)OC)C(=O)C1
M END
