Mol:FLIC1LNS0009

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.2358    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2358    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1232    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1232    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7919    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    0.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -0.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455   -1.1571    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  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1 ^OCH3
M  SBV   1 24   -6.8855    4.5769
S  SKP  8
ID	FLIC1LNS0009
KNApSAcK_ID	C00009713
NAME	Astraciceran;7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavan
CAS_RN	72026-91-6
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c3)c(cc(O4)c(OC4)3)C(C1)Cc(c2)c(cc(O)c2)O1
M  END

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