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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 08:16:17 UTC

Update Date

2021-09-24 08:16:17 UTC

HMDB ID

HMDB0304238

Secondary Accession Numbers

None

Metabolite Identification

Common Name

7,8-dihydromonapterin

Description

7,8-dihydromonapterin, also known as dhm or h2-mpt, belongs to biopterins and derivatives class of compounds. Those are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. 7,8-dihydromonapterin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 7,8-dihydromonapterin can be found in a number of food items such as mugwort, pineapple, eggplant, and japanese pumpkin, which makes 7,8-dihydromonapterin a potential biomarker for the consumption of these food products.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0304238
     RDKit          3D
7,8-dihydromonapterin
 31 32  0  0  0  0  0  0  0  0999 V2000
    5.4278   -1.0951   -0.6142 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943   -0.7569   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037   -0.7259   -1.8879 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182   -0.3835   -2.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237   -0.3559   -3.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672   -0.0501   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1446   -0.0731    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522   -0.4296    0.3804 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784    0.2683    1.4177 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    0.6462    1.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080    0.6367   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253    1.0073   -0.2573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1084    2.2952    0.2374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8923    0.1000    0.4601 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1760    0.5731    0.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200   -1.3213   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7980   -2.0395    0.6939 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090    0.3239   -1.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8634   -1.1113    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    0.4441   -3.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703   -0.4412    1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9015    0.2254    2.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350    0.0551    2.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    1.7138    1.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743    1.0196   -1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099    2.1997    1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7684    0.1176    1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1776    1.1238   -0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511   -1.8107    0.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9874   -1.4434   -1.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7933   -1.6567    1.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 11 18  2  0
  8  2  1  0
 18  6  1  0
  1 19  1  0
  5 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 12 25  1  6
 13 26  1  0
 14 27  1  1
 15 28  1  0
 16 29  1  0
 16 30  1  0
 17 31  1  0
M  END


  Mrv1652303082006212D          

 20 21  0  0  1  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15  2  1  0  0  0  0
  4 16  1  6  0  0  0
  6 17  1  6  0  0  0
 18  8  1  0  0  0  0
  4 19  1  6  0  0  0
  6 20  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0304238

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@](O)(CO)[C@@]([H])(O)C1=NC2=C(NC1)NC(=N)N=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1

> <INCHI_KEY>
YQIFAMYNGGOTFB-NJGYIYPDSA-N

> <FORMULA>
C9H13N5O4

> <MOLECULAR_WEIGHT>
255.2306

> <EXACT_MASS>
255.096753929

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
23.982345407077595

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S)-1-(4-hydroxy-2-imino-1,2,7,8-tetrahydropteridin-6-yl)propane-1,2,3-triol

> <ALOGPS_LOGP>
-1.59

> <JCHEM_LOGP>
-2.5066763283333335

> <ALOGPS_LOGS>
-2.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.788163159924721

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.381177643477085

> <JCHEM_PKA_STRONGEST_BASIC>
1.7475451987691686

> <JCHEM_POLAR_SURFACE_AREA>
153.54999999999998

> <JCHEM_REFRACTIVITY>
80.6715

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.15e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S)-1-(4-hydroxy-2-imino-7,8-dihydro-1H-pteridin-6-yl)propane-1,2,3-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0304238
     RDKit          3D
7,8-dihydromonapterin
 31 32  0  0  0  0  0  0  0  0999 V2000
    5.4278   -1.0951   -0.6142 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943   -0.7569   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037   -0.7259   -1.8879 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182   -0.3835   -2.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237   -0.3559   -3.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672   -0.0501   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1446   -0.0731    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522   -0.4296    0.3804 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784    0.2683    1.4177 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    0.6462    1.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080    0.6367   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253    1.0073   -0.2573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1084    2.2952    0.2374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8923    0.1000    0.4601 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1760    0.5731    0.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200   -1.3213   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7980   -2.0395    0.6939 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090    0.3239   -1.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8634   -1.1113    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    0.4441   -3.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703   -0.4412    1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9015    0.2254    2.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350    0.0551    2.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    1.7138    1.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743    1.0196   -1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099    2.1997    1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7684    0.1176    1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1776    1.1238   -0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511   -1.8107    0.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9874   -1.4434   -1.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7933   -1.6567    1.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 11 18  2  0
  8  2  1  0
 18  6  1  0
  1 19  1  0
  5 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 12 25  1  6
 13 26  1  0
 14 27  1  1
 15 28  1  0
 16 29  1  0
 16 30  1  0
 17 31  1  0
M  END

HEADER    PROTEIN                                 08-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-MAR-20         0                                  
HETATM    1  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       5.335  -3.080   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       2.667  -3.080   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   19  H   UNK     0      -4.001   0.770   0.000  0.00  0.00           H+0
HETATM   20  H   UNK     0      -2.667  -1.540   0.000  0.00  0.00           H+0
CONECT    1    3   11                                                       
CONECT    2    4   15                                                       
CONECT    3    1    6   12                                                  
CONECT    4    2    6   16   19                                             
CONECT    5    7    8   12                                                  
CONECT    6    3    4   17   20                                             
CONECT    7    5   11   13                                                  
CONECT    8    5   14   18                                                  
CONECT    9   10   13   14                                                  
CONECT   10    9                                                            
CONECT   11    1    7                                                       
CONECT   12    3    5                                                       
CONECT   13    7    9                                                       
CONECT   14    8    9                                                       
CONECT   15    2                                                            
CONECT   16    4                                                            
CONECT   17    6                                                            
CONECT   18    8                                                            
CONECT   19    4                                                            
CONECT   20    6                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

COMPND    HMDB0304238
HETATM    1  N1  UNL     1       5.428  -1.095  -0.614  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.194  -0.757  -0.684  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.604  -0.726  -1.888  1.00  0.00           N  
HETATM    4  C2  UNL     1       2.318  -0.383  -2.050  1.00  0.00           C  
HETATM    5  O1  UNL     1       1.724  -0.356  -3.295  1.00  0.00           O  
HETATM    6  C3  UNL     1       1.567  -0.050  -0.954  1.00  0.00           C  
HETATM    7  C4  UNL     1       2.145  -0.073   0.288  1.00  0.00           C  
HETATM    8  N3  UNL     1       3.452  -0.430   0.380  1.00  0.00           N  
HETATM    9  N4  UNL     1       1.378   0.268   1.418  1.00  0.00           N  
HETATM   10  C5  UNL     1       0.002   0.646   1.347  1.00  0.00           C  
HETATM   11  C6  UNL     1      -0.508   0.637  -0.017  1.00  0.00           C  
HETATM   12  C7  UNL     1      -1.925   1.007  -0.257  1.00  0.00           C  
HETATM   13  O2  UNL     1      -2.108   2.295   0.237  1.00  0.00           O  
HETATM   14  C8  UNL     1      -2.892   0.100   0.460  1.00  0.00           C  
HETATM   15  O3  UNL     1      -4.176   0.573   0.190  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.820  -1.321  -0.018  1.00  0.00           C  
HETATM   17  O4  UNL     1      -3.798  -2.039   0.694  1.00  0.00           O  
HETATM   18  N5  UNL     1       0.209   0.324  -1.016  1.00  0.00           N  
HETATM   19  H1  UNL     1       5.863  -1.111   0.333  1.00  0.00           H  
HETATM   20  H2  UNL     1       1.203   0.444  -3.610  1.00  0.00           H  
HETATM   21  H3  UNL     1       3.870  -0.441   1.325  1.00  0.00           H  
HETATM   22  H4  UNL     1       1.901   0.225   2.342  1.00  0.00           H  
HETATM   23  H5  UNL     1      -0.635   0.055   2.056  1.00  0.00           H  
HETATM   24  H6  UNL     1      -0.135   1.714   1.731  1.00  0.00           H  
HETATM   25  H7  UNL     1      -2.174   1.020  -1.336  1.00  0.00           H  
HETATM   26  H8  UNL     1      -2.110   2.200   1.237  1.00  0.00           H  
HETATM   27  H9  UNL     1      -2.768   0.118   1.551  1.00  0.00           H  
HETATM   28  H10 UNL     1      -4.178   1.124  -0.628  1.00  0.00           H  
HETATM   29  H11 UNL     1      -1.851  -1.811   0.247  1.00  0.00           H  
HETATM   30  H12 UNL     1      -2.987  -1.443  -1.089  1.00  0.00           H  
HETATM   31  H13 UNL     1      -3.793  -1.657   1.620  1.00  0.00           H  
CONECT    1    2    2   19
CONECT    2    3    8
CONECT    3    4    4
CONECT    4    5    6
CONECT    5   20
CONECT    6    7    7   18
CONECT    7    8    9
CONECT    8   21
CONECT    9   10   22
CONECT   10   11   23   24
CONECT   11   12   18   18
CONECT   12   13   14   25
CONECT   13   26
CONECT   14   15   16   27
CONECT   15   28
CONECT   16   17   29   30
CONECT   17   31
END

HMDB0304238
     RDKit          3D
7,8-dihydromonapterin
 31 32  0  0  0  0  0  0  0  0999 V2000
    5.4278   -1.0951   -0.6142 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943   -0.7569   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037   -0.7259   -1.8879 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182   -0.3835   -2.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237   -0.3559   -3.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672   -0.0501   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1446   -0.0731    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522   -0.4296    0.3804 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784    0.2683    1.4177 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    0.6462    1.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080    0.6367   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253    1.0073   -0.2573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1084    2.2952    0.2374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8923    0.1000    0.4601 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1760    0.5731    0.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200   -1.3213   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7980   -2.0395    0.6939 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090    0.3239   -1.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8634   -1.1113    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    0.4441   -3.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703   -0.4412    1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9015    0.2254    2.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350    0.0551    2.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    1.7138    1.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743    1.0196   -1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099    2.1997    1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7684    0.1176    1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1776    1.1238   -0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511   -1.8107    0.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9874   -1.4434   -1.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7933   -1.6567    1.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 11 18  2  0
  8  2  1  0
 18  6  1  0
  1 19  1  0
  5 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 12 25  1  6
 13 26  1  0
 14 27  1  1
 15 28  1  0
 16 29  1  0
 16 30  1  0
 17 31  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
DHM	ChEBI
H2-MPT	ChEBI

Chemical Formula

C₉H₁₃N₅O₄

Average Molecular Weight

255.2306

Monoisotopic Molecular Weight

255.096753929

IUPAC Name

(1S,2S)-1-(4-hydroxy-2-imino-1,2,7,8-tetrahydropteridin-6-yl)propane-1,2,3-triol

Traditional Name

(1S,2S)-1-(4-hydroxy-2-imino-7,8-dihydro-1H-pteridin-6-yl)propane-1,2,3-triol

CAS Registry Number

Not Available

SMILES

[H][C@](O)(CO)[C@@]([H])(O)C1=NC2=C(NC1)NC(=N)N=C2O

InChI Identifier

InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1

InChI Key

YQIFAMYNGGOTFB-NJGYIYPDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Biopterins and derivatives

Alternative Parents

Substituents

Biopterin
Aminopyrimidine
Pyrimidone
Secondary aliphatic/aromatic amine
Pyrimidine
Vinylogous amide
Heteroaromatic compound
Ketimine
Secondary alcohol
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Secondary amine
Polyol
Amine
Organopnictogen compound
Primary amine
Primary alcohol
Organic oxide
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Imine
Organic oxygen compound
Organic nitrogen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dihydropterin (CHEBI:71175 )
neopterins (CHEBI:71175 )

Ontology

Not Available

Exogenous (HMDB: HMDB0304238)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Pterin Biosynthesis (Folate Precursor) (PathBank: SMP0012013)

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.6	ALOGPS
logP	-2.5	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	5.38	ChemAxon
pKa (Strongest Basic)	1.75	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	153.55 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	80.67 m³·mol⁻¹	ChemAxon
Polarizability	23.98 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	156.395	32859911
AllCCS	[M+H-H2O]+	152.822	32859911
AllCCS	[M+Na]+	160.664	32859911
AllCCS	[M+NH4]+	159.71	32859911
AllCCS	[M-H]-	156.038	32859911
AllCCS	[M+Na-2H]-	155.919	32859911
AllCCS	[M+HCOO]-	155.892	32859911
DeepCCS	[M+H]+	153.325	30932474
DeepCCS	[M-H]-	150.929	30932474
DeepCCS	[M-2H]-	184.591	30932474
DeepCCS	[M+Na]+	159.596	30932474

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	11.1509 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	6.21 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	716.1 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	300.5 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	34.8 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	179.2 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	69.4 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	296.5 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	262.4 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	790.5 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	650.1 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	48.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	956.7 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	196.9 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	255.4 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	622.3 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	390.1 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	394.2 seconds	40023050

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
7,8-dihydromonapterin,5TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)[NH]1	2518.7	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)[NH]1	2682.2	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)[NH]1	4516.2	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #10	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2506.8	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #10	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2694.5	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #10	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	3864.0	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #11	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2541.0	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #11	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2646.0	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #11	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4248.8	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #12	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2	2494.9	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #12	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2	2681.2	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #12	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2	4055.8	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #13	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=C([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)CN2[Si](C)(C)C	2543.5	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #13	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=C([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)CN2[Si](C)(C)C	2647.6	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #13	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=C([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)CN2[Si](C)(C)C	3869.6	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #14	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2518.9	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #14	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2687.8	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #14	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	3744.1	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #15	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2521.8	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #15	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2688.3	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #15	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	3975.4	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #16	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2538.9	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #16	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2626.6	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #16	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	4261.9	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #17	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2	2489.6	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #17	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2	2677.8	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #17	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2	4071.0	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #18	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	2539.1	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #18	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	2650.1	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #18	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	3854.1	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #19	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2510.3	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #19	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2665.0	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #19	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	3758.2	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #2	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	2563.1	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #2	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	2570.1	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #2	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	4132.9	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #20	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2526.8	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #20	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2687.1	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #20	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	4012.9	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #21	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO)=N2)N1[Si](C)(C)C	2542.4	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #21	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO)=N2)N1[Si](C)(C)C	2667.4	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #21	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO)=N2)N1[Si](C)(C)C	3878.4	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C([NH]C(=N)N=C2O[Si](C)(C)C)N([Si](C)(C)C)C1	2508.2	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C([NH]C(=N)N=C2O[Si](C)(C)C)N([Si](C)(C)C)C1	2609.7	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C([NH]C(=N)N=C2O[Si](C)(C)C)N([Si](C)(C)C)C1	4039.6	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #4	C[Si](C)(C)N=C1N=C(O)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2512.7	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #4	C[Si](C)(C)N=C1N=C(O)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2644.4	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #4	C[Si](C)(C)N=C1N=C(O)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4061.6	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #5	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2465.0	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #5	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2716.1	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #5	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	3945.4	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #6	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O	2514.1	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #6	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O	2639.6	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #6	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O	3740.9	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2522.4	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2651.1	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4332.3	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #8	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2475.9	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #8	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2704.8	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #8	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	4191.1	Standard polar	33892256
7,8-dihydromonapterin,5TMS,isomer #9	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	2524.4	Semi standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #9	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	2662.2	Standard non polar	33892256
7,8-dihydromonapterin,5TMS,isomer #9	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	4014.8	Standard polar	33892256
7,8-dihydromonapterin,6TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2566.7	Semi standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2635.0	Standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4104.1	Standard polar	33892256
7,8-dihydromonapterin,6TMS,isomer #2	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2541.1	Semi standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #2	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2691.6	Standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #2	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	3916.4	Standard polar	33892256
7,8-dihydromonapterin,6TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	2586.8	Semi standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	2664.8	Standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(=N)N=C2O[Si](C)(C)C	3691.7	Standard polar	33892256
7,8-dihydromonapterin,6TMS,isomer #4	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2557.3	Semi standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #4	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2686.3	Standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #4	C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	3569.4	Standard polar	33892256
7,8-dihydromonapterin,6TMS,isomer #5	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2563.7	Semi standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #5	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2691.4	Standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #5	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	3789.1	Standard polar	33892256
7,8-dihydromonapterin,6TMS,isomer #6	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2583.4	Semi standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #6	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2685.4	Standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #6	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	3621.6	Standard polar	33892256
7,8-dihydromonapterin,6TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2576.2	Semi standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2674.5	Standard non polar	33892256
7,8-dihydromonapterin,6TMS,isomer #7	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	3635.9	Standard polar	33892256
7,8-dihydromonapterin,7TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2628.0	Semi standard non polar	33892256
7,8-dihydromonapterin,7TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2688.0	Standard non polar	33892256
7,8-dihydromonapterin,7TMS,isomer #1	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)CC([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	3487.7	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	3446.3	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	3595.5	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	4555.2	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3473.3	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3622.3	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4024.9	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3483.6	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3456.6	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4240.0	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2	3418.4	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2	3617.4	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2	4186.5	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=C([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C	3500.4	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=C([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C	3545.3	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=C([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C	4018.4	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3489.7	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3589.6	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3935.6	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3453.8	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3531.3	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4089.5	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3485.9	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3477.5	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4257.5	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2	3421.1	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2	3634.4	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2	4206.8	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O[Si](C)(C)C(C)(C)C	3505.2	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O[Si](C)(C)C(C)(C)C	3560.9	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O[Si](C)(C)C(C)(C)C	4020.9	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3486.7	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3594.4	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3951.8	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O[Si](C)(C)C(C)(C)C	3522.2	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O[Si](C)(C)C(C)(C)C	3470.9	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O[Si](C)(C)C(C)(C)C	4192.4	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3464.5	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3548.0	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4123.8	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C	3482.1	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C	3521.2	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C	4002.2	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(=N)N=C2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	3452.6	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(=N)N=C2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	3622.6	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(=N)N=C2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	4231.1	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3540.7	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3508.8	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(NCC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4120.4	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2	3426.2	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2	3730.7	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2	4121.9	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O	3503.8	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O	3599.5	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O	3948.4	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3500.3	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3484.7	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC([C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4336.9	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2	3400.8	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2	3661.5	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2	4311.1	Standard polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O[Si](C)(C)C(C)(C)C	3486.0	Semi standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O[Si](C)(C)C(C)(C)C	3582.7	Standard non polar	33892256
7,8-dihydromonapterin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O[Si](C)(C)C(C)(C)C	4149.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 7,8-dihydromonapterin GC-MS (TMS_5_10) - 70eV, Positive	Not Available	2022-08-08	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 10V, Positive-QTOF	splash10-0a4r-0090000000-2b0b342a426dd07d904d	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 20V, Positive-QTOF	splash10-01p9-1790000000-6794185a47369434a21d	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 40V, Positive-QTOF	splash10-03k9-3900000000-07c24d178dd8bbca5295	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 10V, Negative-QTOF	splash10-0udl-0290000000-989ec6a0993db433af7e	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 20V, Negative-QTOF	splash10-0gvo-3950000000-ff612a77e1e2c8134d4c	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 40V, Negative-QTOF	splash10-052f-9300000000-07fb79f2bfe6d05bf124	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 10V, Positive-QTOF	splash10-0a4i-0090000000-5310e77f7d773306f577	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 20V, Positive-QTOF	splash10-066r-0590000000-b180036f6a8d6a15b2e1	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 40V, Positive-QTOF	splash10-00fv-1910000000-c73199c0d2c4515991d0	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 10V, Negative-QTOF	splash10-01ox-0920000000-ebf1b5bf4dbba9d0f07f	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 20V, Negative-QTOF	splash10-01r6-0900000000-b8bb6081bbc0df64ad18	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,8-dihydromonapterin 40V, Negative-QTOF	splash10-014u-9810000000-20e6aa6d596718131072	2021-10-21	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB030618

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

CPD-11770

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

71175

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for 7,8-dihydromonapterin (HMDB0304238)

MOL for HMDB0304238 (7,8-dihydromonapterin)

3D MOL for HMDB0304238 (7,8-dihydromonapterin)

3D SDF for HMDB0304238 (7,8-dihydromonapterin)

3D-SDF for HMDB0304238 (7,8-dihydromonapterin)

PDB for HMDB0304238 (7,8-dihydromonapterin)

3D PDB for HMDB0304238 (7,8-dihydromonapterin)

SMILES for HMDB0304238 (7,8-dihydromonapterin)

INCHI for HMDB0304238 (7,8-dihydromonapterin)

Structure for HMDB0304238 (7,8-dihydromonapterin)

3D Structure for HMDB0304238 (7,8-dihydromonapterin)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra