Mol:LBPR02020025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 17 0 0 0 0 0 0 0 0999 V2000
-1.4702 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4701 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7557 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0412 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0412 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7557 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6733 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8002 1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1846 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7557 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6733 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1846 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7557 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 13 1 0 0 0 0
13 5 1 0 0 0 0
9 10 1 4 0 0 0
2 14 1 0 0 0 0
1 11 1 0 0 0 0
3 12 1 0 0 0 0
9 15 1 0 0 0 0
6 16 1 0 0 0 0
S SKP 5
ID LBPR02020025
FORMULA C14H20O2
EXACTMASS 220.14632988399998
AVERAGEMASS 220.3074
SMILES Cc(c(O)1)c(C)c(O2)c(CCC(C)(C)2)c(C)1
M END
