Mol:FL2F1ANS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1953 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6745 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1536 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1536 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6745 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1953 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6327 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1118 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1118 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6327 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4086 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6327 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4773 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4773 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4086 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7162 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0017 1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7162 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
15 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 SBV 1 21 -7.4062 5.5566
S SKP 8
ID FL2F1ANS0003
KNApSAcK_ID C00008429
NAME 4'-Methylliquiritigenin
CAS_RN 116384-18-0
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c3)ccc(c3)C(C1)Oc(c2)c(ccc(O)2)C(=O)1
M END
