Mol:Erythroxylane
From Metabolomics.JP
Copyright: ARM project http://www.metabolomics.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-0.2615 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9760 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6905 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4049 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4049 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6905 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9760 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2615 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4529 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4529 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2615 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4529 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1674 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1674 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9760 0.8802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9924 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4049 2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2615 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6905 -2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9760 -1.5947 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
12 13 1 0
13 14 1 0
7 15 1 6
14 9 1 0
13 16 1 1
16 17 1 0
13 18 1 6
8 19 1 1
3 20 1 0
2 21 1 1
S SKP 6
AUTODRAW FALSE
ID Erythroxylane
FORMULA C20H36
EXACTMASS 276.281701152
AVERAGEMASS 276.49984
SMILES CCC(C)(C3)CC(C2)C(C)(C3)C([H])(C1)C(C)(C2)C(C)CC1
M END
