Mol:LBF21503HO04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.6046 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7796 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5019 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0322 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8514 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3759 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1487 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8631 -0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5392 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5392 -1.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4244 -1.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1940 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7503 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8631 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9551 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5116 -1.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5116 0.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9551 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8311 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0711 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7686 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6239 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9439 0.9071 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 23 1 0 0 0 0
5 24 1 0 0 0 0
6 7 1 0 0 0 0
25 7 1 0 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
11 5 1 4 0 0 0
4 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
8 14 1 4 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
1 21 2 0 0 0 0
3 22 2 0 0 0 0
4 23 2 0 0 0 0
6 24 2 0 0 0 0
8 25 2 0 0 0 0
S SKP 5
ID LBF21503HO04
FORMULA C21H32O4
EXACTMASS 348.23005951199997
AVERAGEMASS 348.47637999999995
SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(OC)=O)=CCC
M END
