Mol:LBF18000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.9497 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6647 0.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9497 1.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3364 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6489 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3193 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6593 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6744 0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3427 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0027 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3364 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0047 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6647 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6647 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9511 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3364 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6476 -1.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
4 1 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
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 1 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 LBF18000SC01
FORMULA C18H36O2
EXACTMASS 284.271530396
AVERAGEMASS 284.47724
SMILES CCCCCCCCCCCCCCCCCC(O)=O
M END
