Mol:FLIBALNI0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.8958 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6646 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8956 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8956 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4517 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6693 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4519 -1.0904 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 1 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
18 14 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
3 26 1 0 0 0 0
15 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 FLIBALNI0012
KNApSAcK_ID C00009970
NAME 3'-Dimethylallylkievitone;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone
CAS_RN 104380-55-4
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c1CC=C(C)C)(c(C(C3)C(c(c2O3)c(O)cc(O)c(CC=C(C)C)2)=O)ccc1O)O
M END
