Mol:LBF21503HO03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.8349 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0099 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2734 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4308 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0842 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2592 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2864 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1053 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3788 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5924 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9235 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4797 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5924 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6845 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4814 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2407 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6845 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2710 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2710 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2346 -1.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0020 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6270 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1420 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9205 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4055 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 2 1 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
23 6 1 0 0 0 0
25 24 1 4 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
4 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
13 12 1 4 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
6 18 1 0 0 0 0
18 7 1 4 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 2 0 0 0 0
3 22 2 0 0 0 0
5 23 2 0 0 0 0
7 24 2 0 0 0 0
8 25 2 0 0 0 0
S SKP 5
ID LBF21503HO03
FORMULA C21H32O4
EXACTMASS 348.23005951199997
AVERAGEMASS 348.47637999999995
SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC
M END
