Mol:FLIA1CNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.0709 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0709 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5146 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0417 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0417 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5146 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7104 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7104 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9000 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9000 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2953 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2953 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8514 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4942 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7660 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6321 -1.6763 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
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 3.1369 -0.8826
S SKP 8
ID FLIA1CNI0002
KNApSAcK_ID C00009811
NAME 7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone
CAS_RN 82345-38-8
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES c(c1)c(cc(O2)c(C(C(c(c3)cc(O)c(OC)c3)=C2)=O)1)OCC=C(C)C
M END
