Mol:FLIA9ANS0002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.4785 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
14 18 1 0 0 0 0
6 19 1 0 0 0 0
S SKP 8
ID FLIA9ANS0002
KNApSAcK_ID C00009845
NAME 8,4'-Dihydroxyisoflavone
CAS_RN 118024-87-6
FORMULA C15H10O4
EXACTMASS 254.05790880799998
AVERAGEMASS 254.2375
SMILES Oc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)c(O)cc1
M END
</pre>
