Mol:FLND2ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-0.9335 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 0.4814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3323 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9335 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 0.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 0.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7908 2.9650 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 1 0 0 0
6 7 2 0 0 0 0
8 3 2 0 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 2 0 0 0 0
5 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
9 17 2 0 0 0 0
5 18 1 6 0 0 0
14 19 1 0 0 0 0
1 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 SVB 1 21 -1.2908 2.099
S SKP 8
ID FLND2ANS0001
KNApSAcK_ID C00010253
NAME (S)-4'-Hydroxy-4-methoxydalbergione
CAS_RN 3755-63-3
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c2)c(=O)cc(c(=O)2)[C@]([H])(C=C)c(c1)ccc(O)c1
M END
