Mol:LBST03020011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
4.5981 3.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.7077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 3.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -1.2923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5870 -1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9937 -2.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9882 -2.2704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6574 -3.0135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 -1.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3484 -3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6355 -2.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0175 -4.7077 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 0 0 0 0
1 6 1 0 0 0 0
5 7 2 0 0 0 0
8 9 1 0 0 0 0
6 9 2 0 0 0 0
8 10 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 6 0 0 0
14 15 1 0 0 0 0
11 15 1 0 0 0 0
12 16 1 1 0 0 0
16 17 1 0 0 0 0
18 17 1 1 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 1 0 0 0
2 23 1 6 0 0 0
4 24 1 1 0 0 0
25 21 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 6 0 0 0
S SKP 5
ID LBST03020011
FORMULA C22H34O3
EXACTMASS 346.25079495399996
AVERAGEMASS 346.50356000000005
SMILES [C@@H](C1)(C(=CC=C(C(=C)3)C[C@@H](O)C[C@@H]3O)2)[C@@](CCC2)(C)[C@@H]([C@H](C)CO)C1
M END
