Mol:072c FLIC
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.5498 -0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5498 -0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8354 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1210 -0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1210 -0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8354 0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4065 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 -0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 -0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4065 0.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0221 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0221 -2.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7859 -2.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5498 -2.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5498 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7859 -0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2643 0.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8354 1.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2643 -2.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7859 -0.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5003 0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1210 1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1210 2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8354 2.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4066 2.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 5 1 0
8 11 1 0
11 12 2 0
12 13 1 0
14 15 1 0
15 16 2 0
16 11 1 0
1 2 1 0
1 17 1 0
6 18 1 0
13 14 2 0
14 19 1 0
16 20 1 0
20 21 1 0
18 22 1 0
22 23 2 0
23 24 1 0
23 25 1 0
S SKP 5
ID 072c FLIC
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES CC(C)=CCc(c(O)3)c(O2)c(cc3)C=C(C2)c(c1)c(OC)cc(O)c1
M END
