Mol:LBF12110BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 0 0 0 0 0 0999 V2000
-0.1635 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3217 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0100 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0100 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6517 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6153 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9765 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9692 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0296 -0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2053 -0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2068 -0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0311 -0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4432 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0515 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2272 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1850 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4214 0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5644 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9765 1.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9765 -0.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 3 1 0 0 0 0
5 1 1 0 0 0 0
1 6 1 0 0 0 0
5 9 1 0 0 0 0
7 13 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
6 14 1 0 0 0 0
8 18 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
3 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
S SKP 5
ID LBF12110BC01
FORMULA C19H36O2
EXACTMASS 296.271530396
AVERAGEMASS 296.48794000000004
SMILES CCCCCCCC(CCCCCCC)C=C(C)C(O)=O
M END
