Mol:FLIA1CNS0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.0045 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.5005 0.0000 O 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
8 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 17 2 0 0 0 0
17 12 1 0 0 0 0
7 18 2 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
S SKP 8
ID FLIA1CNS0003
KNApSAcK_ID C00009384
NAME 3'-Hydroxydaidzein
CAS_RN 485-63-2
FORMULA C15H10O5
EXACTMASS 270.05282343
AVERAGEMASS 270.2369
SMILES Oc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cc(O)c(O)c1
M END
</pre>
