Mol:LBF18107EO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-4.1658 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9921 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3765 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3280 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9863 2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8421 2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5547 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1422 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3173 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9048 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6337 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6337 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6337 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7533 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1658 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1658 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
2 6 2 0 0 0 0
4 7 1 4 0 0 0
5 7 1 4 0 0 0
1 8 1 0 0 0 0
2 11 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
5 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
18 17 1 4 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
3 22 2 0 0 0 0
S SKP 5
ID LBF18107EO02
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES C(C(C=CC(=O)CCCCC)1)(CCCCCCCC(O)=O)O1
M END
