Mol:FLIAECNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.1566 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -1.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -0.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7127 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1564 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1564 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7125 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -2.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -3.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8711 -0.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8630 -0.5510 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
6 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
3 27 1 0 0 0 0
27 28 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 32
M SMT 2 OCH3
M SVB 2 32 -2.8711 -0.6779
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 -2.0368 -1.251
S SKP 8
ID FLIAECNI0001
KNApSAcK_ID C00009912
NAME Pre-5-methoxydurmillone;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone
CAS_RN 130286-71-4
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES c(c(CC=C(C)C)4)(c3c(c(c4O)OC)OC)OC=C(C(=O)3)c(c2)cc(O1)c(c2)OC1
M END
