Mol:FLIAACNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.9700 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9700 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3011 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2552 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2552 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3011 1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8113 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8113 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4061 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0009 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0009 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4061 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3011 -0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5263 1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 -0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5263 -0.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5792 -1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2470 -1.4979 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
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 20 1 0 0 0 0
S SKP 8
ID FLIAACNS0002
KNApSAcK_ID C00009455
NAME 5-Hydroxypseudobaptigenin
CAS_RN 40624-03-1
FORMULA C16H10O6
EXACTMASS 298.047738052
AVERAGEMASS 298.24699999999996
SMILES Oc(c4)cc(O3)c(c(O)4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1
M END
