Mol:FL1C1ANS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.6887 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0198 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4635 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0926 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2097 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7707 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7707 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2097 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0198 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3315 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0460 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0460 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5461 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
3 17 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
1 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 21
M SMT 2 OCH3
M SVB 2 21 -3.046 1.1122
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 2.3315 0.8227
S SKP 8
ID FL1C1ANS0005
KNApSAcK_ID C00006929
NAME Isoliquiritigenin 4,4'-dimethyl ether
CAS_RN -
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c2)ccc(c2)C=CC(=O)c(c1)c(O)cc(OC)c1
M END
