Mol:FLII1ANS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-2.0769 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0769 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5206 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5206 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4080 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1483 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7044 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4063 -0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7044 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2811 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8578 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8578 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2811 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4342 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4082 0.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9342 2.1566 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 2 0 0 0 0
8 9 1 0 0 0 0
7 10 1 0 0 0 0
9 11 2 0 0 0 0
11 10 1 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 9 1 0 0 0 0
13 16 1 0 0 0 0
5 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
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 -2.4342 1.2906
S SKP 8
ID FLII1ANS0004
KNApSAcK_ID C00010073
NAME Centrolobofuran;2-(2'-Hydroxy-4'-methoxyphenyl)benzofuran-6-ol
CAS_RN 67685-33-0
FORMULA C15H12O4
EXACTMASS 256.073558872
AVERAGEMASS 256.25338
SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(ccc(O)2)1
M END
