Mol:FL1C9ANS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 0 0 0 0 0 0999 V2000
-2.2321 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 0.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 0.8970 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
1 17 1 0 0 0 0
13 18 1 0 0 0 0
S SKP 8
ID FL1C9ANS0001
KNApSAcK_ID C00006919
NAME 4,4'-Dihydroxychalcone
CAS_RN 3600-61-1
FORMULA C15H12O3
EXACTMASS 240.07864425
AVERAGEMASS 240.25398
SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)ccc(O)c1
M END
</pre>
