Mol:LBF21503HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.8798 0.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9448 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2633 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4207 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0466 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2216 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4531 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4237 0.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6300 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6032 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6032 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5667 -1.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9611 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5173 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6300 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7221 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5471 -0.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2783 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7221 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7698 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5344 0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0769 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4994 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6185 0.9896 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 24 1 0 0 0 0
25 7 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
6 11 1 0 0 0 0
11 7 1 4 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
8 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
1 21 2 0 0 0 0
3 22 2 0 0 0 0
5 23 2 0 0 0 0
6 24 2 0 0 0 0
8 25 2 0 0 0 0
S SKP 5
ID LBF21503HO02
FORMULA C21H32O4
EXACTMASS 348.23005951199997
AVERAGEMASS 348.47637999999995
SMILES C(CC=CCC=CC=CC(OO)CC=CCCCC(OC)=O)=CCC
M END
