Mol:FL1DA9NM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.6228 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6228 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2343 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6975 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1608 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6240 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0872 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0872 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6240 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1608 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0050 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0872 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6224 1.2070 0.0000 O 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
3 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 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
8 17 2 0 0 0 0
1 18 1 0 0 0 0
5 19 1 0 0 0 0
2 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
S SKP 8
ID FL1DA9NM0003
KNApSAcK_ID C00007996
NAME 3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone
CAS_RN 133034-13-6
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES O=Cc(c(O)1)c(O)c(C(=O)CCc(c2)cccc2)c(O)c(C)1
M END
