Mol:FL3FCANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.8676 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8676 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3663 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1342 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1342 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3663 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6343 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6343 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3663 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2249 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2249 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 1.6032 0.0000 C 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 5 1 0 0 0 0
9 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
3 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 22
M SMT 1 OCH3
M SVB 1 22 -2.2249 0.7372
S SKP 8
ID FL3FCANS0001
KNApSAcK_ID C00001043
NAME Genkwanin
CAS_RN 437-64-9
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)ccc(O)c2
M END
