Mol:FL1CA8NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.5006 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
5 17 1 0 0 0 0
1 18 1 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
S SKP 8
ID FL1CA8NS0001
KNApSAcK_ID C00014422
NAME 2,2',4'-Trihydroxy-6'-methoxychalcone
CAS_RN 260541-75-1
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c1)c(C(=O)C=Cc(c2)c(O)ccc2)c(O)cc(O)1
M END
