Mol:LBF18107MO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-5.2534 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0507 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.0992 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4201 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5896 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0507 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6133 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2008 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3758 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9634 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0732 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4857 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4857 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5896 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3040 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4201 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2943 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5412 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9536 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7786 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1911 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0160 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4285 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2534 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0992 -0.3572 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
1 7 1 0 0 0 0
2 10 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
5 14 1 0 0 0 0
14 15 1 0 0 0 0
4 16 1 0 0 0 0
16 17 1 0 0 0 0
5 18 1 4 0 0 0
11 24 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
21 22 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 LBF18107MO01
FORMULA C20H38O5
EXACTMASS 358.271924326
AVERAGEMASS 358.51272
SMILES C(CCC(O)C=CC(C(OC)CCCCCCCC(O)=O)OC)CC
M END
