Mol:FL1C1CNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.4325 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4325 -0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 -0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0036 -0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0036 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2891 -0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2891 -1.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4253 -0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1398 -0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8543 -0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5685 -0.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2749 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2591 0.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5368 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8304 0.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1470 0.9742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 -1.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4325 -1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8615 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8615 1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5115 1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6929 1.8114 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
1 17 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
17 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
S SKP 8
ID FL1C1CNS0007
KNApSAcK_ID C00014427
NAME 3,4-Methylenedioxy-2',4'-dimethoxychalcone
CAS_RN 58344-60-8
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES c(O3)(c1)c(OC3)ccc(C=CC(c(c2)c(OC)cc(OC)c2)=O)1
M END
