Mol:FL3FGCNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.0463    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0463   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0445   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0445    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449    0.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860    0.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5164    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5164    1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860    1.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557    1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -1.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7607   -0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7460   -0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457   -1.7485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457   -2.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824   -0.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485   -0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0463    1.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7607    0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4035    0.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034    1.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2957    0.9641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860    1.8763    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  28  29
M  SBL   6  1  30
M  SMT   6  OCH3
M  SVB   6 30   -1.2957    0.9641
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28   -2.4035    0.7371
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26    2.0463    1.3254
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24     1.689    0.2008
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   -2.0102   -0.8929
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   -2.7607   -0.3358
S  SKP  8
ID	FL3FGCNS0001
KNApSAcK_ID	C00001076
NAME	Nobiletin
CAS_RN	478-01-3
FORMULA	C21H22O8
EXACTMASS	402.13146768
AVERAGEMASS	402.39458
SMILES	c(c1)c(OC)c(cc1C(O3)=CC(c(c32)c(OC)c(c(c(OC)2)OC)OC)=O)OC
M  END

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