Mol:COX00062

From Metabolomics.JP
Revision as of 20:47, 21 February 2011 by 127.0.0.1 (Talk)

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

COX00062.png

4544 
  CDK    9/16/09,17:8 
 
 53 57  0  0  0  0  0  0  0  0999 V2000 
    6.5678    0.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5047   -0.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3170   -1.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3170   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9425    2.7779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8739    1.8634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9808    2.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8387   -1.9744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7448   -1.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7563   -0.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6387   -1.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8387   -3.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6387   -2.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7448   -3.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9584    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5047   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9746   -1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2800    1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5047   -3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3708   -1.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3708   -2.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2740    1.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9776   -0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6208    1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3184    0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6400    1.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9006   -2.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3708    0.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2833    3.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2109   -1.1454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3053   -0.7487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2279   -2.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6297   -3.5998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3511   -4.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1494   -3.9997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2867   -0.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4389   -1.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6625   -2.0068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5047   -4.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7782   -0.6497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7103    0.5685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   10.3615   -2.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   10.3615   -2.0805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.6808   -0.5322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9077    0.3148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0608    0.5417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7495    3.9386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8746    3.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8171    3.1212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8792    2.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3919    2.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1208    1.5852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  1 10  1  0  0  0  0 
  1 22  1  0  0  0  0 
  2 16  1  0  0  0  0 
  2 28  1  0  0  0  0 
  3 20  1  0  0  0  0 
  3 27  1  0  0  0  0 
  4 21  1  0  0  0  0 
  4 27  1  0  0  0  0 
  5 24  1  0  0  0  0 
  5 29  1  0  0  0  0 
  6 22  2  0  0  0  0 
  7 26  1  0  0  0  0 
  7 30  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 12  1  0  0  0  0 
  8 17  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 31  1  0  0  0  0 
 10 15  1  0  0  0  0 
 10 32  1  0  0  0  0 
 11 13  1  0  0  0  0 
 11 16  2  0  0  0  0 
 12 14  1  0  0  0  0 
 12 33  1  0  0  0  0 
 12 34  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 19  2  0  0  0  0 
 14 35  1  0  0  0  0 
 14 36  1  0  0  0  0 
 15 18  2  0  0  0  0 
 15 23  1  0  0  0  0 
 16 20  1  0  0  0  0 
 17 37  1  0  0  0  0 
 17 38  1  0  0  0  0 
 17 39  1  0  0  0  0 
 18 22  1  0  0  0  0 
 18 24  1  0  0  0  0 
 19 21  1  0  0  0  0 
 19 40  1  0  0  0  0 
 20 21  2  0  0  0  0 
 23 25  2  0  0  0  0 
 23 41  1  0  0  0  0 
 24 26  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 42  1  0  0  0  0 
 27 43  1  0  0  0  0 
 27 44  1  0  0  0  0 
 28 45  1  0  0  0  0 
 28 46  1  0  0  0  0 
 28 47  1  0  0  0  0 
 29 48  1  0  0  0  0 
 29 49  1  0  0  0  0 
 29 50  1  0  0  0  0 
 30 51  1  0  0  0  0 
 30 52  1  0  0  0  0 
 30 53  1  0  0  0  0 
S  SKP  6 
NAME	Noscapine 
ID	COX00062 
FORMULA	C22H23NO7 
EXACTMASS	413.147452095 
AVERAGEMASS	413.42056 
SMILES	[H]C([H])([H])Oc(c([H])5)c(OC([H])([H])[H])c(C(=O)4)c(c([H])5)C([H])(O4)C([H])(N(C([H])([H])[H])1)c(c(OC([H])([H])[H])2)c(c([H])c(O3)c(OC([H])([H])3)2)C([H])([H])C([H])([H])1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox