Mol:LBF22409SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
3.8802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4523 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0573 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4523 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3302 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2852 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4877 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9652 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5802 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1677 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2723 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6298 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0973 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6748 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0873 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5273 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9123 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3798 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8198 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2323 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6448 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0573 -0.6566 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 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
15 14 1 0 0 0 0
15 16 2 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
20 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF22409SC01
FORMULA C22H36O2
EXACTMASS 332.271530396
AVERAGEMASS 332.52004000000005
SMILES C(CCC(O)=O)=CCC=CCC=CCC=CCCCCCCCC
M END
