Mol:LBF20307PG22
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
3.5433 1.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5092 1.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5615 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6279 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9986 2.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8362 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4751 1.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1822 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4410 -0.4680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8362 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5773 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4410 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5433 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5092 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4751 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4002 3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1822 -1.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9751 -3.0071 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
3 21 1 1 0 0 0
1 6 1 1 0 0 0
2 7 1 6 0 0 0
7 8 2 0 0 0 0
9 8 1 0 0 0 0
5 20 1 1 0 0 0
10 11 2 0 0 0 0
11 6 1 0 0 0 0
9 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
15 16 1 0 0 0 0
10 17 1 0 0 0 0
9 22 1 6 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 22 1 0 0 0 0
19 23 2 0 0 0 0
S SKP 5
ID LBF20307PG22
FORMULA C19H30O4
EXACTMASS 322.21440944799997
AVERAGEMASS 322.4391
SMILES [C@@H]([C@@H]21)(CC=CCCC(=O)O[C@@H](CCCCC)C=C2)[C@@H](O)C[C@H]1O
M END
