Mol:LBF18203EO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-5.2816 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6997 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6522 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0023 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9636 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6282 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6669 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5893 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0801 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4230 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8355 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4230 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8355 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4230 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8355 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4230 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8692 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2816 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2816 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8692 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2181 2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4681 2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 21 1 0 0 0 0
3 4 1 0 0 0 0
4 22 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 4 0 0 0
8 9 1 4 0 0 0
8 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
14 15 1 0 0 0 0
16 15 1 4 0 0 0
16 17 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 2 0 0 0 0
5 22 2 0 0 0 0
S SKP 5
ID LBF18203EO01
FORMULA C19H32O3
EXACTMASS 308.23514489
AVERAGEMASS 308.45558
SMILES C(C(CC=CCC=CCC)1)(CCCCCCCC(=O)OC)O1
M END
