Mol:FLIAACNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.4645 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4645 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0206 1.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1006 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1006 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1006 0.5632 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 2 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
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
3 25 1 0 0 0 0
15 26 1 0 0 0 0
S SKP 8
ID FLIAACNI0003
KNApSAcK_ID C00009890
NAME 5,7,3',4'-Tetrahydroxy-6-prenylisoflavone
CAS_RN 66777-71-7
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)cc(c(O)c3)O)=C2)=O)C=C(C)C
M END
