Mol:FL1CHYNS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-3.2658 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5513 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5513 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1224 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1224 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4079 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2867 -1.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7229 1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5433 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8789 1.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4079 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8789 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -1.8904 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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 11 1 0 0 0 0
10 17 1 0 0 0 0
17 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FL1CHYNS0010
KNApSAcK_ID C00014439
NAME 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
CAS_RN 622851-67-6
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES COC(=CC(=O)c(c3)cc(c(c3)2)OCO2)c(c1OC)c(cc(c1)OC)OC
M END
