Mol:FL1C1ANP0013
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-3.6214 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6214 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3358 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5234 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5234 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8055 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3358 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
3 8 1 0 0 0 0
4 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 16 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
S SKP 8
ID FL1C1ANP0013
KNApSAcK_ID C00014459
NAME Anthyllisone;5-Prenyl-6'',6''-dimethylpyrano[2'',3'':4,3]-2',4'-dihydroxychalcone
CAS_RN 178734-43-5
FORMULA C25H26O4
EXACTMASS 390.18310931999997
AVERAGEMASS 390.47153999999995
SMILES CC(C)=CCc(c23)cc(cc2C=CC(C)(C)O3)C=CC(=O)c(c1O)ccc(c1)O
M END
</pre>
