Mol:FLNE49NS0001

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9053    1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2071    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2071    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838    0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3490    0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838   -0.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309   -1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838   -1.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606    0.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838    1.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7624    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710    1.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  4  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  6 14  1  0  0  0  0
  5 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  3  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22    -0.071    1.9177
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   -1.2625    1.6423
S  SKP  8
ID	FLNE49NS0001
KNApSAcK_ID	C00010267
NAME	Kuhlmannene;6-Hydroxy-7,8-dimethoxyneoflavene
CAS_RN	20972-80-9
FORMULA	C17H16O4
EXACTMASS	284.104859
AVERAGEMASS	284.30654
SMILES	COc(c(O)3)c(OC)c(O2)c(c3)C(=CC2)c(c1)cccc1
M  END

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