Mol:LBF18206SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.5289 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1422 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8572 -0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1422 0.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0339 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3574 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7593 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0814 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5314 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0089 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5273 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0251 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5613 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0604 0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7411 0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1261 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5661 0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9827 -0.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4406 0.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8572 -0.6621 0.0000 C 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
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 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
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 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
S SKP 5
ID LBF18206SC01
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCC=CCCCCCC=CCCCC(O)=O
M END
