Mol:FLIC1LNS0015

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1515    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1515    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5952    0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5952    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0737    0.4677    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0737    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    1.4312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6298    0.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6298   -0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246   -0.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194   -0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194    0.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246    0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    1.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246    1.1762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8194   -0.5402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194   -0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8072   -1.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -1.4676    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  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
 17  1  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 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    0.8072   -1.0551
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    2.0563   -0.7464
S  SKP  8
ID	FLIC1LNS0015
KNApSAcK_ID	C00010029
NAME	Methoxyvestitol;(3R)-7,2'-Dihydroxy-4',5'-dimethoxyisoflavan
CAS_RN	122587-86-4
FORMULA	C17H18O5
EXACTMASS	302.115423686
AVERAGEMASS	302.32182
SMILES	COc(c3)c(OC)cc(c(O)3)C(C1)Cc(c2)c(cc(O)c2)O1
M  END

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