Mol:LBF15306CV01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 0 0 0 0 0 0999 V2000
6.6359 -1.3007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3269 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1359 -2.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9449 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6359 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3758 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5258 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3179 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1679 -3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5019 0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5019 1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1359 -3.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6359 -0.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2168 -3.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3679 -0.3007 0.0000 O 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 2 0 0 0 0
1 5 1 0 0 0 0
2 6 2 0 0 0 0
1 7 1 6 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 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
3 18 2 0 0 0 0
1 19 1 1 0 0 0
6 15 1 0 0 0 0
15 20 2 0 0 0 0
19 16 1 0 0 0 0
16 21 2 0 0 0 0
16 17 1 0 0 0 0
S SKP 5
ID LBF15306CV01
FORMULA C17H22O4
EXACTMASS 290.151809192
AVERAGEMASS 290.35418
SMILES CCCCCC=CC[C@](OC(C)=O)(C=1)C(=CC=O)C(=O)C1
M END
