Mol:LBST03020023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
4.5981 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5870 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9937 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9882 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6574 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3484 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6355 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0175 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7085 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3776 -5.5548 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 25 1 6 0 0 0
4 26 1 1 0 0 0
19 21 1 0 0 0 0
19 22 1 6 0 0 0
21 23 1 0 0 0 0
27 24 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBST03020023
FORMULA C24H38O3
EXACTMASS 374.28209508199996
AVERAGEMASS 374.55672
SMILES [C@H](O)(C1)C[C@H](O)C(=C)C(=CC=C([C@@H]23)CCC[C@@]2([C@H](CC3)[C@@H](CCCO)C)C)1
M END
