Mol:LBF21000HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
4.6790 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8890 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4761 -0.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8944 0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0960 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5130 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9299 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3469 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7640 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1810 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0126 0.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7609 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3443 -0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9277 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5110 -0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0760 -0.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7910 -0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2173 -0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7123 -0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3173 -0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8123 -0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4761 -0.7683 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
3 5 2 0 0 0 0
1 6 1 0 0 0 0
6 7 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
16 17 1 0 0 0 0
17 18 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
S SKP 5
ID LBF21000HO01
FORMULA C21H42O3
EXACTMASS 342.31339520999995
AVERAGEMASS 342.55638
SMILES C(CCCCCCCCCCCCCCCCCC(O)=O)CCO
M END
