Mol:FLII1CNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.3617 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6911 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9178 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6930 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9178 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4752 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3413 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 2 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 9 2 0 0 0 0
1 2 1 0 0 0 0
7 15 1 0 0 0 0
10 15 1 0 0 0 0
1 16 1 0 0 0 0
5 17 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 1.8461 -0.8826
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 2.2034 0.3535
S SKP 8
ID FLII1CNS0004
KNApSAcK_ID C00009806
NAME 2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran
CAS_RN 67492-33-5
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c1)c(OC)cc(o2)c1cc2c(c3)c(O)cc(O)c3
M END
