Mol:FL1C1CNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 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
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
2.7361 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6021 -1.0042 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
13 19 1 0 0 0 0
19 20 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 2.0737 -0.2104
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 2.4309 0.9674
S SKP 8
ID FL1C1CNS0006
KNApSAcK_ID C00006946
NAME 2',4'-Dihydroxy-3,4-dimethoxychalcone
CAS_RN 4315-88-2
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c1)c(OC)cc(C=CC(=O)c(c2)c(O)cc(O)c2)c1
M END
