Mol:LBF18203EO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-5.2671 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6852 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9877 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9490 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0265 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8377 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8764 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5357 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8501 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8501 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8501 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8547 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2671 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2671 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8547 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8764 1.4434 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 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
22 7 1 4 0 0 0
5 9 1 4 0 0 0
6 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
8 22 2 0 0 0 0
S SKP 5
ID LBF18203EO02
FORMULA C19H32O3
EXACTMASS 308.23514489
AVERAGEMASS 308.45558
SMILES C(C(CC=CCCCCCCCC(=O)OC)1)(CC=CCC)O1
M END
