Mol:FLIA3CNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.1472 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1472 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 0.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2289 -1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2289 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 0.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 -1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 -1.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8805 -0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7921 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3363 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8805 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3362 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3129 1.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1236 2.1587 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
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 -0.3129 1.259
S SKP 8
ID FLIA3CNI0001
KNApSAcK_ID C00009822
NAME 7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone
CAS_RN 82345-37-7
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES c(c4OCC=C(C)C)(OC)c(O3)c(cc4)C(=O)C(=C3)c(c2)cc(O1)c(c2)OC1
M END
