Mol:FL3F98NS0009
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.9576 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 1.7816 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
7 11 2 0 0 0 0
9 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
3 18 1 0 0 0 0
13 19 1 0 0 0 0
16 20 1 0 0 0 0
S SKP 8
ID FL3F98NS0009
KNApSAcK_ID C00003823
NAME 5,2',5'-Trihydroxyflavone
CAS_RN 120552-44-5
FORMULA C15H10O5
EXACTMASS 270.05282343
AVERAGEMASS 270.2369
SMILES Oc(c3)cc(c(O)c3)C(=C1)Oc(c2)c(c(O)cc2)C(=O)1
M END
</pre>
