Mol:FL1DDCNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.2172 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2172 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7883 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7883 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6701 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6701 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3861 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1006 -0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1006 1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3861 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1122 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8500 0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4282 -0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 -2.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4282 1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0926 2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2721 2.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2040 -2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1122 1.1358 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 1 0 0 0 0
7 9 2 0 0 0 0
8 10 1 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
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
20 24 1 0 0 0 0
17 25 1 0 0 0 0
S SKP 8
ID FL1DDCNS0001
KNApSAcK_ID C00014608
NAME 2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone
CAS_RN 622851-66-5
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(O3)(c1)c(OC3)ccc(CCC(c(c(OC)2)c(OC)cc(OC)c2)=O)1
M END
