Mol:LBF12000BC09
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-0.4235 0.2181 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4235 1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9734 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4380 -1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2601 -1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6712 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4933 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9044 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5623 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9734 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9734 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0378 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4489 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2710 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6821 -1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
1 4 1 0 0 0 0
3 8 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
7 8 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
1 12 1 0 0 0 0
9 15 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
S SKP 5
ID LBF12000BC09
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCCC(C)CCCCC(O)=O
M END
