Mol:FLIAAENS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.9047 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9047 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0971 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0971 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 -0.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 -0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3459 1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 -0.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 -1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3914 -0.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2574 -1.4443 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
7 11 2 0 0 0 0
8 12 1 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 17 1 0 0 0 0
17 12 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.6314 -0.6506
S SKP 8
ID FLIAAENS0001
KNApSAcK_ID C00002563
NAME Pratensein;5,7,3'-Trihydroxy-4'-methoxyisoflavone
CAS_RN 2284-31-3
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1
M END
