Mol:FL3F99NS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.6004 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 -0.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3068 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -2.8696 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
2 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
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -1.5594 -0.9846
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.3149 -0.4569
S SKP 8
ID FL3F99NS0006
KNApSAcK_ID C00003793
NAME 5,6-Dimethoxyflavone
CAS_RN 33554-48-2
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES COc(c3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1
M END
