Mol:FLIC1LNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0954 -1.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1398 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5543 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -1.8252 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 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
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 1.9253 -1.0314
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.6398 1.4439
S SKP 8
ID FLIC1LNS0007
KNApSAcK_ID C00009711
NAME Isosativan;2'-Hydroxy-7,4'-dimethoxyisoflavan
CAS_RN 60102-29-6
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c3)cc(O)c(c3)C(C2)Cc(c1)c(O2)cc(OC)c1
M END
