Mol:FLIABENI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.1831 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 2.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7872 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7872 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3814 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3820 1.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7878 0.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0632 0.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3488 0.3288 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
1 18 1 0 0 0 0
13 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
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -2.0632 0.7413
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 2.0247 0.0089
S SKP 8
ID FLIABENI0001
KNApSAcK_ID C00009879
NAME 7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone
CAS_RN 132587-59-8
FORMULA C22H22O6
EXACTMASS 382.141638436
AVERAGEMASS 382.40648000000004
SMILES c(c1CC=C(C)C)c(C(C3=O)=COc(c32)cc(cc(OC)2)O)cc(c1OC)O
M END
