Mol:FL3FA9NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.6027 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9599 0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4598 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5666 -0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 -1.3054 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
9 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
7 17 2 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
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 -1.5666 -0.8929
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 -1.9599 0.7371
S SKP 8
ID FL3FA9NS0001
KNApSAcK_ID C00001028
NAME 5,7-Dimethoxyflavone;chrysin 5,7-dimethyl ether
CAS_RN 21392-57-4
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES COc(c1)cc(O2)c(C(=O)C=C2c(c3)cccc3)c(OC)1
M END
