Mol:LBF20307PG27
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 0 0 0 0 0 0999 V2000
9.0858 3.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7768 2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5858 1.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.3948 2.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0858 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5858 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8257 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1315 2.4650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3884 3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3459 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9236 1.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4980 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -4.1739 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
5 1 1 0 0 0 0
7 8 2 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
13 14 1 0 0 0 0
2 7 1 1 0 0 0
6 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
4 21 2 0 0 0 0
1 23 1 6 0 0 0
3 6 1 1 0 0 0
9 22 1 1 0 0 0
20 24 1 0 0 0 0
20 25 2 0 0 0 0
S SKP 5
ID LBF20307PG27
FORMULA C20H34O5
EXACTMASS 354.240624198
AVERAGEMASS 354.48096000000004
SMILES C(CC[C@H](O)C=C[C@H]([C@@H]1CCCCCCC(O)=O)[C@@H](CC1=O)O)CC
M END
