Mol:FLIAACNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.4496 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -2.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 1.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3372 1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3372 2.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2177 2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8921 2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
2 20 1 0 0 0 0
13 21 1 0 0 0 0
1 22 1 0 0 0 0
20 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
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIAACNI0002
KNApSAcK_ID C00009524
NAME 6,8-Diprenylorobol;5,7,3',4'-Tetrahydroxy-6,8-diprenylisoflavone
CAS_RN 66777-70-6
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c(O)1)(cc(C(C2=O)=COc(c3CC=C(C)C)c(c(c(CC=C(C)C)c3O)O)2)cc1)O
M END
