Mol:FL1C9ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-2.8674 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7548 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7548 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1985 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6422 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0861 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4700 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0310 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5920 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5920 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0310 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4700 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1985 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1529 0.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8674 0.2379 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
3 17 1 0 0 0 0
6 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
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 SBV 1 20 -5.0455 2.6250
S SKP 8
ID FL1C9ANS0002
KNApSAcK_ID C00006930
NAME 2',5'-Dihydroxy-4-methoxychalcone
CAS_RN 6342-92-3
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c2)ccc(c2)C=CC(=O)c(c1)c(O)ccc(O)1
M END
