Mol:FLIAALNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.3897 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3897 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8892 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8892 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8883 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3879 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3879 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8883 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8898 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8883 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1123 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1123 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5764 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0405 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0405 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5764 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5037 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8892 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5764 0.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5037 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9657 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4278 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8898 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4278 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 13 2 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
18 21 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FLIAALNI0001
KNApSAcK_ID C00002542
NAME Licoisoflavone A
CAS_RN 66056-19-7
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c1O)(c(ccc1C(C(=O)2)=COc(c3)c2c(cc(O)3)O)O)CC=C(C)C
M END
