Mol:113a FLIC
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.1022 0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1022 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3878 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6733 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6733 0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3878 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0412 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8165 0.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 -2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8990 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8990 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6135 -2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0412 0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3878 1.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1023 1.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8167 1.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2292 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6135 1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 0.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
1 2 2 0
1 8 1 0
7 9 1 0
9 10 1 1
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 10 1 0
13 16 1 0
5 17 1 0
9 18 1 0
6 19 1 0
19 20 2 0
20 21 1 0
21 8 1 0
21 22 1 0
21 23 1 0
18 17 1 0
15 24 1 0
S SKP 5
ID 113a FLIC
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES Oc(c4)cc(O)c(c4)C(C3)Cc(c2)c(O3)c(C=1)c(c2)OC(C)(C)C1
M END
