Mol:FL5FFLNS0007

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5FFLNS0007.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 34  0  0  0  0  0  0  0  0999 V2000
   -2.3203   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3203   -0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -1.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077   -0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640    0.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6514   -1.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0951   -0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0951   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6514    0.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6514   -1.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0280   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5949    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5949    0.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0280    1.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    0.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -1.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640    0.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3201    1.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3201    1.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6776    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1777    1.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949    0.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5949    0.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709   -1.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369   -1.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3114    1.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528    2.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1037    1.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3963    2.3001    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
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 29  1  0  0  0  0
 29 30  1  0  0  0  0
 17 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  31  32
M  SBL   5  1  33
M  SMT   5  OCH3
M  SVB   5 33    0.1037    1.4341
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  29  30
M  SBL   4  1  31
M  SMT   4  OCH3
M  SVB   4 31    1.3114    1.7188
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  27  28
M  SBL   3  1  29
M  SMT   3  OCH3
M  SVB   3 29    0.1037    -1.009
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27    2.1617    1.1426
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -2.6776    0.4583
S  SKP  8
ID	FL5FFLNS0007
KNApSAcK_ID	C00004944
NAME	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
CAS_RN	83159-17-5
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	c(c(OC)3)c(O)c(c(c3OC(C)=O)2)C(=O)C(OC)=C(O2)c(c1)c(c(OC)c(c1)OC)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox