Mol:LBF18302HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-2.9380 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6467 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8598 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4713 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9913 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 0.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1021 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2004 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2004 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2004 -2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5254 1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 0.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5254 2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6467 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9913 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
23 5 1 4 0 0 0
2 7 1 0 0 0 0
7 3 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
6 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
16 15 1 4 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 2 0 0 0 0
4 22 2 0 0 0 0
6 23 2 0 0 0 0
S SKP 5
ID LBF18302HP01
FORMULA C19H32O4
EXACTMASS 324.23005951199997
AVERAGEMASS 324.45498
SMILES CC=CC(OO)CC=CCC=CCCCCCCCC(=O)OC
M END
