Mol:FL1C1CNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.2321 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 -0.9329 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 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
13 17 1 0 0 0 0
1 18 1 0 0 0 0
12 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 -5.4075 2.4231
S SKP 8
ID FL1C1CNS0004
KNApSAcK_ID C00006944
NAME Sappanchalcone
CAS_RN 94344-54-4
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c2)c(ccc(O)2)C(=O)C=Cc(c1)cc(O)c(O)c1
M END
