Mol:LBST03020021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
7.9266 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9266 0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0605 -0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1945 0.2110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1945 1.2110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0605 1.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2435 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6557 0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2435 1.5200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6473 3.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9563 2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9344 2.4711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6691 3.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9266 -1.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0605 -1.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9266 -2.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7926 -3.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7926 -3.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0605 -3.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0605 -4.2890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9266 -4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7926 -4.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6036 3.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1945 2.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1945 -4.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3601 4.7890 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
25 13 1 0 0 0 0
10 13 1 0 0 0 0
14 15 1 0 0 0 0
3 15 2 0 0 0 0
14 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
17 22 1 0 0 0 0
9 12 1 0 0 0 0
12 23 1 1 0 0 0
20 26 1 6 0 0 0
5 24 1 6 0 0 0
13 27 2 0 0 0 0
S SKP 5
ID LBST03020021
FORMULA C24H36O3
EXACTMASS 372.266445018
AVERAGEMASS 372.54084
SMILES [C@]([C@@H]([C@@H](CCC(O)=O)C)3)([C@H]1CC3)(CCCC1=CC=C(C2)C(=C)CC[C@@H]2O)C
M END
