Mol:FL1CABNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.5893 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5893 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0330 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0330 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3641 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1920 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7481 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3091 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3091 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7481 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1454 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0330 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9206 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4309 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1454 0.5549 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
1 17 1 0 0 0 0
3 18 1 0 0 0 0
5 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 -4.7675 2.9420
S SKP 8
ID FL1CABNS0001
KNApSAcK_ID C00006952
NAME 2',4',6'-Trihydroxy-4-methoxychalcone
CAS_RN 56927-09-4
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c2)ccc(c2)C=CC(=O)c(c(O)1)c(O)cc(O)c1
M END
