Mol:FLIBALNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0022 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4459 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8896 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8896 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4459 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3333 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2230 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2230 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3333 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7791 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7791 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3333 -0.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5583 -1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5583 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6710 0.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3855 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8823 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1678 -0.7004 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
7 17 2 0 0 0 0
18 14 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
3 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 -5.0628 5.6071
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 -5.7963 4.8626
S SKP 8
ID FLIBALNS0007
KNApSAcK_ID C00009954
NAME 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone
CAS_RN 99965-02-3
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)c(ccc(O)3)C(C2)C(=O)c(c(OC)1)c(O2)cc(O)c1
M END
