Mol:FL1C1ANS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-2.3315 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1887 1.9782 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 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
13 17 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.6887 1.1122
S SKP 8
ID FL1C1ANS0004
KNApSAcK_ID C00006928
NAME Isoliquiritigenin 4'-methyl ether
CAS_RN 63529-06-6
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c2)cc(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1
M END
