Mol:FLIAA9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.8068 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2505 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2505 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4184 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4184 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9745 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9745 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1641 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1641 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6869 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9725 -0.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1641 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6641 2.1722 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
8 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
3 18 1 0 0 0 0
18 19 1 0 0 0 0
1 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 -2.1641 1.3062
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 -1.6869 -0.4366
S SKP 8
ID FLIAA9NS0002
KNApSAcK_ID C00009451
NAME 5,7-Dimethoxyisoflavone
CAS_RN 26964-35-2
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES COc(c3)cc(O2)c(c(OC)3)C(=O)C(=C2)c(c1)cccc1
M END
