Mol:FLIA19NM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.2144 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2144 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6581 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6581 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0108 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0108 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7705 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1617 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7565 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7565 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1617 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7565 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2634 0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 1.1573 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
8 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 17 2 0 0 0 0
17 12 1 0 0 0 0
7 18 2 0 0 0 0
11 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
9 22 1 0 0 0 0
S SKP 8
ID FLIA19NM0003
KNApSAcK_ID C00009395
NAME 7-Acetyloxy-2-methylisoflavone
CAS_RN 3211-63-0
FORMULA C18H14O4
EXACTMASS 294.089208936
AVERAGEMASS 294.30136
SMILES c(C(=C(C)3)C(c(c2O3)ccc(OC(C)=O)c2)=O)(c1)cccc1
M END
