Mol:FL1DA9NM0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
2.3913 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3913 0.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0166 -0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2672 -0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -0.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1438 -0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1438 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 -0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 -0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5452 0.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0579 -0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 -1.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1449 0.7882 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
11 17 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
13 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 -8.7982 5.6557
S SKP 8
ID FL1DA9NM0007
KNApSAcK_ID C00008118
NAME 2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone
CAS_RN 83247-38-5
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c1)c(C)c(O)c(C(=O)CCc(c2)cccc2)c(O)1
M END
