Mol:FLIB1LNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.9047 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9047 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0971 0.2883 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0971 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3459 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1340 -0.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4714 -0.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3914 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2574 -1.5365 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 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 17 1 0 0 0 0
12 18 1 0 0 0 0
7 19 2 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 1.6314 -0.7426
S SKP 8
ID FLIB1LNS0002
KNApSAcK_ID C00002584
NAME Vestitone;7,2'-Dihydroxy-4'-methoxyisoflavanone
CAS_RN 66211-83-4
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)cc(O)c(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1
M END
