Mol:FLIB1LNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 -1.1571 0.0000 O 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 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
12 20 1 0 0 0 0
S SKP 8
ID FLIB1LNS0003
KNApSAcK_ID C00009535
NAME 2'-Hydroxydihydrodaidzein;7,2',4'-Trihydroxyisoflavanone
CAS_RN 75519-15-2
FORMULA C15H12O5
EXACTMASS 272.068473494
AVERAGEMASS 272.25278000000003
SMILES Oc(c3)cc(O)c(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1
M END
