Mol:LBF18207HP03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
-3.1763 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6263 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0656 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5935 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2185 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8533 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0023 1.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4591 1.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3949 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4301 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 -0.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7638 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4266 0.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4266 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9938 2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0664 1.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3169 1.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7650 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1763 -0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4619 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 4 0 0 0
6 5 1 4 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
4 8 1 0 0 0 0
6 23 1 0 0 0 0
10 9 1 4 0 0 0
10 11 2 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
15 16 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
3 21 1 4 0 0 0
21 22 1 0 0 0 0
9 23 2 0 0 0 0
17 24 1 0 0 0 0
24 25 1 0 0 0 0
25 16 1 0 0 0 0
S SKP 5
ID LBF18207HP03
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(O1)(CC(C=CC=CCCCCCCCC(=O)OC)O1)C(CC)OO
M END
