Mol:LBF20408LX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.2106 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9256 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9256 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2106 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4970 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4970 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7834 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0697 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3561 -0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3575 -0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0711 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7834 0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.0697 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3561 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3575 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7847 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4984 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2120 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9256 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7834 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3561 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3575 0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0697 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0697 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7842 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
1 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
6 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
11 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
12 20 1 1 0 0 0
9 21 1 6 0 0 0
10 22 1 1 0 0 0
15 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
S SKP 5
ID LBF20408LX01
FORMULA C20H32O5
EXACTMASS 352.224974134
AVERAGEMASS 352.46508
SMILES C(CCC(O)C(O)C=CC=CC=CC=CC(CCCC(O)=O)O)CC
M END
