Mol:Ent-Trachylobane
From Metabolomics.JP
Copyright: ARM project http://www.metabolomics.jp/
22 26 0 0 0 0 0 0 0 0999 V2000
-0.0000 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4290 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4290 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7144 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7144 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7144 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8415 -1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0165 -1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -0.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4254 1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9748 0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 2 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 1 1 0
8 11 1 0
11 12 1 0
3 13 1 1
3 14 1 6
12 15 1 0
15 16 1 0
9 16 1 0
2 17 1 1
15 18 1 1
7 19 1 6
8 20 1 1
21 22 1 0
12 22 1 6
15 22 1 6
9 21 1 6
S SKP 6
AUTODRAW FALSE
ID Ent-Trachylobane
FORMULA C20H32
EXACTMASS 272.250401024
AVERAGEMASS 272.46808
SMILES CC(C)(C5)C([H])(C4)C(C)(CC5)C([H])(C1)C(C4)(C3)CC(C)(C32)C12
M END
