Mol:FLIAAANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.7270 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2833 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 -0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 -1.0883 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
20 1 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
22 25 2 0 0 0 0
S SKP 8
ID FLIAAANI0002
KNApSAcK_ID C00009494
NAME 6-(1,1-Dimethylallyl)genistein
CAS_RN 77390-42-2
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C=CC(C)(C)c(c(O)1)c(c(C2=O)c(OC=C2c(c3)ccc(O)c3)c1)O
M END
