Mol:FLIAABNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.8752 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8752 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 -0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2869 -1.5365 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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
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 1.6609 -0.7426
S SKP 8
ID FLIAABNS0001
KNApSAcK_ID C00002510
NAME Biochanin A;Pratensol;Olmelin;Genistein 4'-methyl ether;5,7-Dihydroxy-4'-methoxyisoflavone
CAS_RN 491-80-5
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1
M END
