Mol:FL1C9CNS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 20 0 0 0 0 0 0 0 0999 V2000
-2.5101 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2849 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2712 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 0.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 -0.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 -0.8844 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
13 17 1 0 0 0 0
12 18 1 0 0 0 0
3 19 1 0 0 0 0
S SKP 8
ID FL1C9CNS0001
KNApSAcK_ID C00006924
NAME 3,4,2'-Trihydroxychalcone
CAS_RN -
FORMULA C15H12O4
EXACTMASS 256.073558872
AVERAGEMASS 256.25338
SMILES Oc(c2)c(O)cc(c2)C=CC(=O)c(c1)c(O)ccc1
M END
</pre>
