Mol:FLIBALNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.4502 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1149 -0.8719 0.0000 O 0 0 0 0 0 0 0 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
14 26 1 0 0 0 0
S SKP 8
ID FLIBALNI0006
KNApSAcK_ID C00009957
NAME Diphysolone;5,7,2',4'-Tetrahydroxy-6-prenylisoflavanone
CAS_RN 88899-18-7
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(O)cc(O)c3)C2)=O)C=C(C)C
M END
