Mol:FLIA2ANS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -0.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5403 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0402 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.8251 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
2 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 2.0247 -1.0314
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.5403 1.4439
S SKP 8
ID FLIA2ANS0006
KNApSAcK_ID C00009850
NAME Alfalone;6-Hydroxy-7,4'-dimethoxyisoflavone
CAS_RN 970-48-9
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)cc(OC)c(O)1
M END
