Mol:FL1DA9NM0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
2.3913 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3913 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0166 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2672 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1438 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1438 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0344 1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0579 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5452 1.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1693 0.6283 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
6 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 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
9 16 2 0 0 0 0
13 17 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
11 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -7.8423 5.4958
S SKP 8
ID FL1DA9NM0006
KNApSAcK_ID C00008117
NAME 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H
CAS_RN 143502-00-5
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c1)c(C(=O)CCc(c2)cccc2)c(O)c(C)c(O)1
M END
