Mol:FL1DHXNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.1885 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1885 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0257 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5771 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1272 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1272 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7422 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7422 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0257 0.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3576 -0.8931 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 1 0 0 0 0
8 9 1 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
13 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -6.9326 3.2633
S SKP 8
ID FL1DHXNS0005
KNApSAcK_ID C00007949
NAME 4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
CAS_RN 117614-82-1
FORMULA C16H16O5
EXACTMASS 288.099773622
AVERAGEMASS 288.29524
SMILES COc(c2)c(ccc(O)2)C(=O)C(O)Cc(c1)ccc(O)c1
M END
