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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2022-09-09 20:55:24 UTC

Update Date

2022-09-22 18:34:53 UTC

HMDB ID

HMDB0341397

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Tapentadol-beta-D-glucuronide

Description

Tapentadol-beta-D-glucuronide belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Based on a literature review very few articles have been published on Tapentadol-beta-D-glucuronide.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309092223332D          

 35 36  0  0  1  0            999 V2000
    3.9849   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -6.0770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3974   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -6.0770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2224   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -7.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -8.2204    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6974   -8.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -8.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -8.9349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1724   -9.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974   -8.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974   -9.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -9.6493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9349  -10.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599  -10.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -9.6493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6974   -9.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099  -10.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -8.9349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9349   -8.9349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -8.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  1  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  1  0  0  0
 24 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  6  0  0  0
 27 30  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  6  0  0  0
 14 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 12 35  1  0  0  0  0
M  END


  Mrv1652309092223332D          

 35 36  0  0  1  0            999 V2000
    3.9849   -6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -6.0770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3974   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -6.0770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2224   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -7.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -8.2204    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6974   -8.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -8.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -8.9349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1724   -9.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974   -8.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974   -9.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -9.6493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9349  -10.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599  -10.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -9.6493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6974   -9.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099  -10.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -8.9349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9349   -8.9349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -8.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  1  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  1  0  0  0
 24 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  6  0  0  0
 27 30  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  6  0  0  0
 14 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 12 35  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0341397

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@](C)(CN(C)C)[C@@]([H])(CC)C1=CC(O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H31NO7/c1-5-14(11(2)10-21(3)4)12-7-6-8-13(9-12)27-20-17(24)15(22)16(23)18(28-20)19(25)26/h6-9,11,14-18,20,22-24H,5,10H2,1-4H3,(H,25,26)/t11-,14+,15-,16-,17+,18-,20+/m0/s1

> <INCHI_KEY>
CTYJDHSTNLOUMT-PJOQTPGLSA-N

> <FORMULA>
C20H31NO7

> <MOLECULAR_WEIGHT>
397.468

> <EXACT_MASS>
397.210052342

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
41.89507695383669

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-6-{3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_LOGP>
-1.2381606974924353

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.21836811352492

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.990207076376661

> <JCHEM_PKA_STRONGEST_BASIC>
9.807494497630225

> <JCHEM_POLAR_SURFACE_AREA>
119.69000000000001

> <JCHEM_REFRACTIVITY>
101.57060000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-6-{3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  H   UNK     0       7.438 -11.344   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       8.978 -11.344   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.208 -12.677   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.208 -10.010   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       6.668 -10.010   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       5.898  -8.676   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.898 -11.344   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.518 -11.344   0.000  0.00  0.00           C+0
HETATM    9  H   UNK     0       9.748 -10.010   0.000  0.00  0.00           H+0
HETATM   10  C   UNK     0      11.288 -10.010   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.828 -10.010   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.288 -12.677   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.828 -12.677   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.598 -14.011   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      15.138 -14.011   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      15.908 -15.345   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0      14.368 -15.345   0.000  0.00  0.00           H+0
HETATM   18  O   UNK     0      17.448 -15.345   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      18.218 -16.678   0.000  0.00  0.00           C+0
HETATM   20  H   UNK     0      18.988 -18.012   0.000  0.00  0.00           H+0
HETATM   21  C   UNK     0      19.758 -16.678   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      20.528 -15.345   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      20.528 -18.012   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      17.448 -18.012   0.000  0.00  0.00           C+0
HETATM   25  H   UNK     0      16.678 -19.346   0.000  0.00  0.00           H+0
HETATM   26  O   UNK     0      18.218 -19.346   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      15.908 -18.012   0.000  0.00  0.00           C+0
HETATM   28  H   UNK     0      14.368 -18.012   0.000  0.00  0.00           H+0
HETATM   29  O   UNK     0      15.138 -19.346   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      15.138 -16.678   0.000  0.00  0.00           C+0
HETATM   31  H   UNK     0      16.678 -16.678   0.000  0.00  0.00           H+0
HETATM   32  O   UNK     0      13.598 -16.678   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      12.828 -15.345   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.288 -15.345   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.518 -14.011   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4    8                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    2    9   10   12                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10                                                            
CONECT   12    8   13   35                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   33                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18   30                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21   24                                             
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28   29   30                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27   16   31   32                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   14   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   12                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   72    0
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Tapentadol-b-D-glucuronide	Generator
Tapentadol-β-D-glucuronide	Generator

Chemical Formula

C₂₀H₃₁NO₇

Average Molecular Weight

397.468

Monoisotopic Molecular Weight

397.210052342

IUPAC Name

(2S,3S,4S,5R,6S)-6-{3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-6-{3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

[H][C@](C)(CN(C)C)[C@@]([H])(CC)C1=CC(O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)=CC=C1

InChI Identifier

InChI=1S/C20H31NO7/c1-5-14(11(2)10-21(3)4)12-7-6-8-13(9-12)27-20-17(24)15(22)16(23)18(28-20)19(25)26/h6-9,11,14-18,20,22-24H,5,10H2,1-4H3,(H,25,26)/t11-,14+,15-,16-,17+,18-,20+/m0/s1

InChI Key

CTYJDHSTNLOUMT-PJOQTPGLSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
O-glucuronide
1-o-glucuronide
Glucuronic acid or derivatives
Hexose monosaccharide
O-glycosyl compound
Phenylpropane
Phenol ether
Phenoxy compound
Beta-hydroxy acid
Aralkylamine
Hydroxy acid
Benzenoid
Pyran
Monosaccharide
Oxane
Monocyclic benzene moiety
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Amino acid or derivatives
Amino acid
Acetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Alcohol
Carbonyl group
Amine
Hydrocarbon derivative
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

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	-1.2	ChemAxon
pKa (Strongest Acidic)	2.99	ChemAxon
pKa (Strongest Basic)	9.81	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	119.69 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	101.57 m³·mol⁻¹	ChemAxon
Polarizability	41.9 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Retention Times

Not Available

Predicted Kovats Retention Indices

Not Available

Spectra

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

52084065

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71752323

PDB ID

Not Available

ChEBI ID

Not Available

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

Simon-Manso Y, Marupaka R, Yan X, Liang Y, Telu KH, Mirokhin Y, Stein SE: Mass Spectrometry Fingerprints of Small-Molecule Metabolites in Biofluids: Building a Spectral Library of Recurrent Spectra for Urine Analysis. Anal Chem. 2019 Sep 17;91(18):12021-12029. doi: 10.1021/acs.analchem.9b02977. Epub 2019 Aug 30. [PubMed:31424920 ]

Showing metabocard for Tapentadol-beta-D-glucuronide (HMDB0341397)

MOL for HMDB0341397 (Tapentadol-beta-D-glucuronide)

3D MOL for HMDB0341397 (Tapentadol-beta-D-glucuronide)

3D SDF for HMDB0341397 (Tapentadol-beta-D-glucuronide)

3D-SDF for HMDB0341397 (Tapentadol-beta-D-glucuronide)

PDB for HMDB0341397 (Tapentadol-beta-D-glucuronide)

3D PDB for HMDB0341397 (Tapentadol-beta-D-glucuronide)

SMILES for HMDB0341397 (Tapentadol-beta-D-glucuronide)

INCHI for HMDB0341397 (Tapentadol-beta-D-glucuronide)

Structure for HMDB0341397 (Tapentadol-beta-D-glucuronide)

3D Structure for HMDB0341397 (Tapentadol-beta-D-glucuronide)

Predicted Retention Times

Predicted Kovats Retention Indices