Mol:FLIDBANI0002

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
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    2.5213    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252   -0.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5606   -0.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606   -1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1155   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1155   -0.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3297   -0.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  8 11  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
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  2 19  1  0  0  0  0
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 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  28
M  SMT   1 OCH3
M  SBV   1 28   -6.0275    4.8390
S  SKP  8
ID	FLIDBANI0002
KNApSAcK_ID	C00009655
NAME	Edudiol;3,9-Dihydroxy-1-methoxy-2-prenylpterocarpan
CAS_RN	63343-94-2
FORMULA	C21H22O5
EXACTMASS	354.146723814
AVERAGEMASS	354.39638
SMILES	O(C)c(c(CC=C(C)C)1)c(C24)c(OCC2c(c3)c(O4)cc(O)c3)cc1O
M  END

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