Mol:FL2F1ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.3935 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.5869 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
9 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
7 17 2 0 0 0 0
14 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 21
M SMT 1 OCH3
M SVB 1 21 -2.4197 0.7209
S SKP 8
ID FL2F1ANS0002
KNApSAcK_ID C00008198
NAME Methyl-liquiritigenin
CAS_RN 61504-06-1
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c3)cc(O1)c(c3)C(=O)CC1c(c2)ccc(O)c2
M END
