Mol:LBF18107SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.2247 -0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8379 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5529 -0.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8379 0.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6197 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9872 -0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3354 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6727 -0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4022 -0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1753 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8477 -0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7421 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3347 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9603 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5529 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4953 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1003 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7053 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2003 -0.0749 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
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 5 1 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
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
12 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
13 20 1 0 0 0 0
S SKP 5
ID LBF18107SC01
FORMULA C18H34O2
EXACTMASS 282.255880332
AVERAGEMASS 282.46136
SMILES CCCCCCC=CCCCCCCCCCC(O)=O
M END
