Mol:FL1CDCNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.4695 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4677 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7523 -0.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0388 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0388 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7559 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 -1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3902 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1047 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8191 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5333 -0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2563 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2738 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5682 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8452 0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1840 1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7523 -1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4668 -1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 1.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8984 1.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5789 1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7568 1.7964 0.0000 O 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
5 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
17 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 15 1 0 0 0 0
S SKP 8
ID FL1CDCNS0002
KNApSAcK_ID C00014431
NAME 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone
CAS_RN 151703-88-7
FORMULA C19H18O6
EXACTMASS 342.110338308
AVERAGEMASS 342.34262
SMILES c(O3)(c1)c(OC3)ccc(C=CC(c(c(OC)2)c(OC)cc(OC)c2)=O)1
M END
