Mol:FL1CRTNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.3315 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -1.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 1.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1887 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1328 -0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -1.0797 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
13 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
11 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 1.1328 -0.6672
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 -2.6887 1.0797
S SKP 8
ID FL1CRTNS0002
KNApSAcK_ID C00006923
NAME 4-Hydroxy-2,4'-dimethoxychalcone;Glypallichalcone
CAS_RN 146763-58-8
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c2)ccc(c2)C(=O)C=Cc(c1)c(OC)cc(O)c1
M END
