Mol:FL1DRTNS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-3.0930 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0930 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3786 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6641 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6641 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3786 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9041 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2057 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9041 -2.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2057 -0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5103 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 -0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9393 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9393 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5103 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1203 1.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5268 1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 -1.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9126 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 1.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0930 0.8779 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
16 17 1 0 0 0 0
14 18 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
18 23 1 0 0 0 0
S SKP 8
ID FL1DRTNS0010
KNApSAcK_ID C00014605
NAME 2-Hydroxy-3,4,6-trimethoxydihydrochalcone
CAS_RN 279219-89-5
FORMULA C18H20O5
EXACTMASS 316.13107375
AVERAGEMASS 316.3484
SMILES c(c2OC)(OC)cc(c(c2O)CCC(=O)c(c1)cccc1)OC
M END
