Mol:FL1CBBNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-3.1252 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1252 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4107 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6962 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4107 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8397 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9818 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2673 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4472 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4472 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1616 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8761 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8761 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1616 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8761 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6412 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4472 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3050 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0195 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0195 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3050 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0825 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6412 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6339 0.6604 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
4 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
10 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
13 18 1 0 0 0 0
7 19 1 0 0 0 0
20 17 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 15 1 0 0 0 0
20 25 1 0 0 0 0
23 26 1 0 0 0 0
23 27 1 0 0 0 0
S SKP 8
ID FL1CBBNP0001
KNApSAcK_ID C00014480
NAME Glychalcone A;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-4,6'-dimethoxychalcone
CAS_RN 143885-75-0
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES C(O1)(C=Cc(c2O)c1cc(OC)c(C(=O)C=Cc(c3)ccc(c3)OC)2)(C)C
M END
