Mol:FLIA1CNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.2122 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2122 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6559 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0996 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0996 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6559 0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0130 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0130 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5691 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5691 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1639 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1639 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 0.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 -1.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3443 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9195 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4934 1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4933 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0674 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3529 -0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0674 -0.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6247 -1.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 -2.1736 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
14 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 28
M SMT 2 OCH3
M SVB 2 28 2.9957 -1.3799
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 3.3529 -0.1438
S SKP 8
ID FLIA1CNI0003
KNApSAcK_ID C00009812
NAME 7-Prenyloxy-3',4'-dimethoxyisoflavone
CAS_RN 82345-39-9
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES c(c3)c(cc(c3OC)OC)C(C2=O)=COc(c12)cc(cc1)OCC=C(C)C
M END
