Mol:LBF18107HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-4.2823 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1086 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5511 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4735 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1028 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4735 2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6712 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2587 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4338 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0213 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8698 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2823 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2823 0.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 -1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 -2.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 -2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9799 2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2655 2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5511 2.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 25 1 0 0 0 0
4 3 1 4 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
5 7 1 4 0 0 0
1 8 1 0 0 0 0
2 11 1 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
12 13 2 0 0 0 0
12 14 1 0 0 0 0
5 15 1 0 0 0 0
12 21 1 0 0 0 0
15 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
19 20 1 0 0 0 0
20 21 1 0 0 0 0
4 24 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
3 25 2 0 0 0 0
S SKP 5
ID LBF18107HO01
FORMULA C20H38O5
EXACTMASS 358.271924326
AVERAGEMASS 358.51272
SMILES C(CCC(O)C=CC(C(O)CCCCCCCC(O)=O)OCC)CC
M END
