Mol:LBF18203JA02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 1 0 0 0 0 0999 V2000
-3.4957 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6707 -0.6463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0845 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7528 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7027 0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9891 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9570 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2434 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5297 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1839 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6111 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3247 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1641 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5496 0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2632 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4163 0.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0845 1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0383 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0383 0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7528 -1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 17 1 0 0 0 0
3 17 1 0 0 0 0
3 4 1 0 0 0 0
1 4 2 0 0 0 0
5 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
6 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 5 1 1 0 0 0
2 7 1 1 0 0 0
3 18 2 0 0 0 0
13 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
S SKP 5
ID LBF18203JA02
FORMULA C18H28O3
EXACTMASS 292.203844762
AVERAGEMASS 292.41312
SMILES C(CC=CCC)(C(=O)1)C(CCCCCCCC(O)=O)C=C1
M END
