Mol:FLIAAANI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.8761 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4322 2.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6889 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0942 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0942 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6889 1.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2712 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4322 0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.9140 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
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FLIAAANI0007
KNApSAcK_ID C00009882
NAME 3',5'-Diprenylgenistein;5,7,4'-Trihydroxy-3',5'-diprenylisoflavone
CAS_RN 104055-80-3
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES c(C(=C3)C(=O)c(c(O3)2)c(O)cc(O)c2)(c1)cc(c(O)c(CC=C(C)C)1)CC=C(C)C
M END
