Mol:FLIAA9NS0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-1.7074 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7074 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 -0.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 -0.7694 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
3 19 1 0 0 0 0
S SKP 8
ID FLIAA9NS0003
KNApSAcK_ID C00009814
NAME 5,7-Dihydroxyisoflavone
CAS_RN 4044-00-2
FORMULA C15H10O4
EXACTMASS 254.05790880799998
AVERAGEMASS 254.2375
SMILES Oc(c3)cc(O2)c(c(O)3)C(=O)C(=C2)c(c1)cccc1
M END
</pre>
