Mol:FL1C98NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 0 0 0 0 0 0999 V2000
-2.2297 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2297 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6734 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1171 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1171 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6734 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0045 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5516 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1077 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2297 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2297 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1077 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 -0.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6734 -0.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.9716 0.0000 O 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
11 18 1 0 0 0 0
S SKP 8
ID FL1C98NS0001
KNApSAcK_ID C00006918
NAME 2,2'-Dihydroxychalcone
CAS_RN -
FORMULA C15H12O3
EXACTMASS 240.07864425
AVERAGEMASS 240.25398
SMILES Oc(c2)c(ccc2)C=CC(=O)c(c1)c(O)ccc1
M END
