Mol:FLIA1LNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.2358 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -0.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 0.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -1.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -0.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7917 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7229 -2.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4374 -2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4374 0.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1518 -0.2834 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
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
13 27 1 0 0 0 0
27 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 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 SBV 1 30 -6.0109 4.1804
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 SBV 2 32 -5.2965 4.9360
S SKP 8
ID FLIA1LNI0006
KNApSAcK_ID C00009885
NAME Preferrugone;7-Hydroxy-2',5'-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone
CAS_RN 130286-68-9
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES C(C=2c(c4OC)cc(OC)c(c43)OCO3)(c(c1OC2)ccc(O)c(CC=C(C)C)1)=O
M END
