Mol:FLIABBNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.6036 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6036 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4910 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4910 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0653 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6216 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6216 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0653 1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1777 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1777 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0653 -0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1597 1.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7162 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7162 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1599 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0579 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3187 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2332 -1.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0992 -1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4837 -0.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7693 -0.6980 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
8 11 1 0 0 0 0
11 12 2 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -1.4837 -0.2855
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.6042 -1.0179
S SKP 8
ID FLIABBNP0001
KNApSAcK_ID C00009504
NAME Alpinumisoflavone dimethyl ether
CAS_RN 34086-56-1
FORMULA C22H20O5
EXACTMASS 364.13107375
AVERAGEMASS 364.3912
SMILES c(c1)c(ccc1C(=C4)C(c(c2OC)c(O4)cc(O3)c(C=CC3(C)C)2)=O)OC
M END
