Mol:PR100856

From Metabolomics.JP
Jump to: navigation, search

PR100856.png

 
 
 
 27 29  0  0  1  0  0  0  0  0999 V2000 
   27.5143  -25.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5143  -23.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.3239  -23.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0634  -23.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0634  -25.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.3239  -26.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7272  -26.0447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   29.9402  -25.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.9402  -23.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7272  -23.2436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   31.1531  -26.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.3659  -25.3444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   32.3659  -23.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.1531  -23.2436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7272  -21.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.4975  -21.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.4977  -19.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.2930  -21.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7232  -19.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.2974  -19.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.1074  -19.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.2975  -17.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.1044  -16.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.8563  -23.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.8563  -26.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.1531  -27.4453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   33.5640  -23.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0     0  0 
  2  3  1  0     0  0 
  3  4  2  0     0  0 
  4  5  1  0     0  0 
  5  6  2  0     0  0 
  1  6  1  0     0  0 
  1  7  1  0     0  0 
  7  8  2  0     0  0 
  8  9  1  0     0  0 
  9 10  1  0     0  0 
  2 10  1  0     0  0 
  8 11  1  0     0  0 
 11 12  1  0     0  0 
 12 13  1  0     0  0 
 13 14  1  0     0  0 
  9 14  2  0     0  0 
 10 15  1  0     0  0 
 15 16  1  0     0  0 
 16 17  1  0     0  0 
 16 18  1  6     0  0 
 17 19  1  1     0  0 
 17 20  1  0     0  0 
 20 21  1  6     0  0 
 20 22  1  0     0  0 
 22 23  1  0     0  0 
  4 24  1  0     0  0 
  5 25  1  0     0  0 
 11 26  2  0     0  0 
 13 27  2  0     0  0 
S  SKP  7 
CAS_RN	83-88-5 
NAME	(-)-Riboflavin 
ID	PR100856 
FORMULA	C17H20N4O6 
EXACTMASS	376.138284392 
AVERAGEMASS	376.36406 
SMILES	OCC(O)C(O)C(O)CN(c21)C(=N3)C(C(=O)NC(=O)3)=Nc(cc(C)c(C)c2)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox