Mol:FLII1CNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.3353 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4460 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4460 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0408 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0408 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6605 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6925 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6925 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1924 2.1723 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
9 5 1 0 0 0 0
8 10 1 0 0 0 0
10 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 10 2 0 0 0 0
7 16 1 0 0 0 0
1 2 1 0 0 0 0
11 16 1 0 0 0 0
13 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 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 23
M SMT 1 OCH3
M SVB 1 23 -2.6925 1.3062
S SKP 8
ID FLII1CNS0003
KNApSAcK_ID C00009803
NAME 2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
CAS_RN 67236-31-1
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c4)cc(O)c(c4)c(c1)oc(c2)c(cc(O3)c(OC3)2)1
M END
