Mol:FLICWXNS0008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.3522    0.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3522    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396    0.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1270    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1270    0.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4291    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4291   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239   -1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6187   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6187    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239    0.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239    1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274    1.3005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847   -1.1818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3508   -1.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129    0.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9274   -0.0644    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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23    2.2129    0.3481
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21    1.8557    -0.888
S  SKP  8
ID	FLICWXNS0008
KNApSAcK_ID	C00010037
NAME	Odoriflavene;7,2'-Dihydroxy-3',4'-dimethoxyisoflav-3-ene
CAS_RN	101153-41-7
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c3)c(OC)c(O)c(c3)C(C1)=Cc(c2)c(cc(O)c2)O1
M  END

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