Mol:FL1CE9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.9517 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8318 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6808 2.1151 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
5 18 1 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
6 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 -1.1173 1.2154
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 -1.8318 -0.8029
S SKP 8
ID FL1CE9NS0002
KNApSAcK_ID C00006960
NAME 2',4'-Dihydroxy-3',6'-dimethoxychalcone
CAS_RN 54299-50-2
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c1)c(C(=O)C=Cc(c2)cccc2)c(O)c(OC)c(O)1
M END
