Mol:LBST03020013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
7.2574 1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2574 0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3914 -0.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5254 0.4189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5254 1.4189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3914 1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9865 0.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 1.7279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9781 3.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 2.6790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2574 -1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3914 -1.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2574 -2.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1235 -3.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9895 -2.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3914 -3.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3914 -4.0811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2574 -4.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1235 -4.0811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5254 2.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9344 3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5254 -4.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9895 -4.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 4.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0459 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 6 1 1 0 0 0
1 6 1 0 0 0 0
4 7 1 6 0 0 0
7 8 1 0 0 0 0
9 8 1 6 0 0 0
5 9 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 14 1 0 0 0 0
3 14 2 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
16 21 1 0 0 0 0
9 12 1 0 0 0 0
5 22 1 6 0 0 0
12 23 1 1 0 0 0
19 24 1 6 0 0 0
21 25 1 1 0 0 0
10 26 1 0 0 0 0
10 27 2 0 0 0 0
S SKP 5
ID LBST03020013
FORMULA C23H34O4
EXACTMASS 374.24570957599997
AVERAGEMASS 374.51366
SMILES C(C=C(C(=C)3)C[C@@H](O)C[C@@H]3O)=C([C@H]21)CCC[C@@]1([C@H](CC2)[C@@H](CC(O)=O)C)C
M END
