Mol:LBF28000BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 32 0 0 1 0 0 0 0 0999 V2000
-4.5073 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9243 0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3412 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1738 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5909 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0079 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4249 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7412 0.5823 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.3241 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9071 0.5823 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.4901 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0732 0.5823 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7909 0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7937 -0.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5073 0.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5073 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9243 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3412 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1752 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4262 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1568 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7398 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3227 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9057 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4888 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0732 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9071 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7412 1.4073 0.0000 C 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
7 6 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
18 1 1 0 0 0 0
18 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
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
28 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
14 31 1 4 0 0 0
12 32 1 4 0 0 0
10 33 1 4 0 0 0
S SKP 5
ID LBF28000BC01
FORMULA C31H62O2
EXACTMASS 466.47498122800005
AVERAGEMASS 466.82278
SMILES C(CCCCCCC(CC(C)CC(C)C(O)=O)C)CCCCCCCCCCCCCCC
M END
