Mol:LBF18307TX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
8.0622 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 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 6 0 0 0
3 4 1 0 0 0 0
1 5 1 0 0 0 0
5 6 2 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
4 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
7 19 1 6 0 0 0
2 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 20 1 0 0 0 0
1 20 1 1 0 0 0
16 21 1 6 0 0 0
18 22 1 4 0 0 0
15 23 1 0 0 0 0
15 24 2 0 0 0 0
S SKP 5
ID LBF18307TX01
FORMULA C18H30O6
EXACTMASS 342.204238692
AVERAGEMASS 342.42719999999997
SMILES [C@@H]([C@@H](CC=CCC(O)=O)1)(C=C[C@H](O)CCCCC)OC(O)C[C@@H]1O
M END
