Mol:FLIB1GNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.3617 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9178 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -0.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9178 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5970 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 -1.4494 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 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 2 1 0 0 0 0
1 17 1 0 0 0 0
7 18 2 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 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 SBV 1 22 -4.9190 5.4519
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -5.9306 4.9373
S SKP 8
ID FLIB1GNS0001
KNApSAcK_ID C00009961
NAME 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone
CAS_RN 124901-97-9
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c1)c(O)c(OC)cc1C(C2)C(=O)c(c3)c(cc(O)c3)O2
M END
