Mol:FLIAF8NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8068 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2505 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2505 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4184 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4184 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9745 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9745 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1641 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1641 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2505 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1641 1.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6641 2.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9725 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5360 2.3436 0.0000 C 0 0 0 0 0 0 0 0 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 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
16 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -0.9725 1.4439
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.1641 1.1685
S SKP 8
ID FLIAF8NS0001
KNApSAcK_ID C00009865
NAME 5,2'-Dihydroxy-7,8-dimethoxyisoflavone
CAS_RN 115713-23-0
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(OC)c(O2)c(c(O)3)C(=O)C(=C2)c(c1)c(O)ccc1
M END
