Mol:FL1C99NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 0 0 0 0 0 0999 V2000
-2.0511 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0511 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1741 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7302 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4083 1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9083 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 17 18
M SBL 1 1 18
M SMT 1 OCH3
M SVB 1 18 -2.4083 1.0418
S SKP 8
ID FL1C99NS0001
KNApSAcK_ID C00006917
NAME 4'-Methoxychalcone
CAS_RN 22966-19-4
FORMULA C16H14O2
EXACTMASS 238.09937969199999
AVERAGEMASS 238.28116
SMILES COc(c2)ccc(c2)C(=O)C=Cc(c1)cccc1
M END
