NP-MRD: Showing NP-Card for Inodxyl glucuronide (NP0090875)

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Record Information

Version

2.0

Created at

2022-05-11 18:24:48 UTC

Updated at

2022-05-11 18:24:48 UTC

NP-MRD ID

NP0090875

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Inodxyl glucuronide

Description

Indoxyl glucuronide belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. Glucuronidation is used to assist in the excretion of toxic substances, drugs, and other substances that cannot be used as an energy source. Uremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. Indoxyl glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). Indoxyl glucuronide is a potentially toxic compound. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 3) Larger so-called middle-molecules, such as beta2-microglobulin.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
   -2.5022    1.6778    3.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2562    1.4979    2.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6375    1.6680    2.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7202    1.0944    0.7024 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3925    0.9808    0.7807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7394    0.0774    0.0042 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5951   -0.0979    0.4104 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496    0.1829   -0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6428    0.6466   -1.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237    0.7700   -2.1631 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7805    0.4042   -1.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1757    0.3473   -1.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   -0.0895    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9475   -0.4585    1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727   -0.3944    1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0052    0.0368   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506   -1.2627   -0.0316 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7283   -2.2353   -0.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7627   -0.9554   -0.7447 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4727   -2.0875   -1.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5149   -0.0662    0.2234 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6888    0.3611   -0.4064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0005    2.5405    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9678    1.9623    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7355    0.4492   -1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566    0.8757   -2.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1661    1.1050   -3.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7354    0.6424   -1.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8007   -0.1375    0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4327   -0.7959    2.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9628   -0.6887    1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6938   -1.5095    1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1740   -2.7999   -0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370   -0.3468   -1.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5698   -2.6068   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8326   -0.7209    1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4906   -0.0668   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 17  1  0
 17 18  1  0
 17  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  6  5  1  0
  5  4  1  0
  4 21  1  0
 21 22  1  0
  4  2  1  0
  2  3  1  0
  2  1  2  0
 21 19  1  0
 16  8  1  0
 16 11  1  0
 20 35  1  0
 19 34  1  6
 17 32  1  1
 18 33  1  0
  6 25  1  6
  9 26  1  0
 10 27  1  0
 12 28  1  0
 13 29  1  0
 14 30  1  0
 15 31  1  0
  4 24  1  6
 21 36  1  1
 22 37  1  0
  3 23  1  0
M  END


  Mrv1652306011818522D          

 22 24  0  0  1  0            999 V2000
   18.2695   -4.9711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2059   -5.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9224   -6.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3078   -7.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4350   -5.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1404   -3.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9497   -8.0374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3714   -6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.5642   -6.3693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.6277   -5.4149    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0132   -5.7552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.0767   -4.8009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3331   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9497   -6.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1690   -6.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1690   -7.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4311   -7.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4544   -6.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4544   -8.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7400   -6.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7400   -7.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7821   -3.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
 11  2  1  6  0  0  0
  2 14  1  0  0  0  0
  8  3  1  6  0  0  0
  9  4  1  1  0  0  0
 10  5  1  1  0  0  0
  6 13  2  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0090875

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC=CC=C23)O[C@@H]([C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1

> <INCHI_KEY>
KUYNOZVWCFXSNE-BYNIDDHOSA-N

> <FORMULA>
C14H15NO7

> <MOLECULAR_WEIGHT>
309.2714

> <EXACT_MASS>
309.084851839

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
29.17748828214342

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-0.25

> <JCHEM_LOGP>
-0.17935106799999956

> <ALOGPS_LOGS>
-1.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.216581835401184

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.511146254098941

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6868276404107956

> <JCHEM_POLAR_SURFACE_AREA>
132.24

> <JCHEM_REFRACTIVITY>
71.1372

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.60e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
inodxyl glucuronide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-JUN-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JUN-18         0                                  
HETATM    1  O   UNK     0      34.103  -9.279   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      32.118 -11.061   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      37.188 -12.718   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      34.175 -13.353   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      38.145  -9.790   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      37.595  -7.180   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      31.639 -15.003   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      36.160 -11.572   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      34.653 -11.889   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      36.638 -10.108   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      33.625 -10.743   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      35.610  -8.962   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      36.088  -7.498   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      31.639 -12.524   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      30.182 -12.994   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      30.182 -14.534   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      32.538 -13.764   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      28.848 -12.224   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      28.848 -15.304   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      27.515 -12.994   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      27.515 -14.534   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      35.060  -6.352   0.000  0.00  0.00           O+0
CONECT    1   11   12                                                       
CONECT    2   11   14                                                       
CONECT    3    8                                                            
CONECT    4    9                                                            
CONECT    5   10                                                            
CONECT    6   13                                                            
CONECT    7   16   17                                                       
CONECT    8    3    9   10                                                  
CONECT    9    4    8   11                                                  
CONECT   10    5    8   12                                                  
CONECT   11    1    2    9                                                  
CONECT   12    1   10   13                                                  
CONECT   13    6   12   22                                                  
CONECT   14    2   15   17                                                  
CONECT   15   14   16   18                                                  
CONECT   16    7   15   19                                                  
CONECT   17    7   14                                                       
CONECT   18   15   20                                                       
CONECT   19   16   21                                                       
CONECT   20   18   21                                                       
CONECT   21   19   20                                                       
CONECT   22   13                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
Indoxyl-beta-D-glucuronide	HMDB
Indoxylglucuronide	HMDB
Indoxyl-glucuronide	HMDB
1H-indol-3-yl Β-D-glucopyranosiduronic acid	HMDB
3-Indolyl-β-D-glucuronide	HMDB
indol-3-yl Β-D-glucosiduronic acid	HMDB
Indolyl 3-glucuronide	HMDB
Indoxyl β-D-glucuronide	HMDB
1H-indol-3-yl beta-D-Glucopyranosiduronic acid	HMDB
3-Indolyl-beta-D-glucuronide	HMDB
indol-3-yl beta-D-Glucosiduronic acid	HMDB
Indoxyl beta-D-glucuronide	HMDB
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylate	HMDB
Indoxyl glucuronide	MeSH

Chemical Formula

C₁₄H₁₅NO₇

Average Mass

309.2714 Da

Monoisotopic Mass

309.08485 Da

IUPAC Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid

Traditional Name

inodxyl glucuronide

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC=CC=C23)O[C@@H]([C@H]1O)C(O)=O

InChI Identifier

InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1

InChI Key

KUYNOZVWCFXSNE-BYNIDDHOSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glucuronides

Alternative Parents

Substituents

1-o-glucuronide
O-glucuronide
Glycosyl compound
O-glycosyl compound
Indole
Indole or derivatives
Beta-hydroxy acid
Hydroxy acid
Monosaccharide
Benzenoid
Substituted pyrrole
Pyran
Oxane
Heteroaromatic compound
Pyrrole
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Polyol
Organic oxide
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Alcohol
Organopnictogen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	-0.25	ALOGPS
logP	-0.18	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	3.51	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	132.24 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	71.14 m³·mol⁻¹	ChemAxon
Polarizability	29.18 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0010319

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB027471

KNApSAcK ID

Not Available

Chemspider ID

2015556

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

2733785

PDB ID

Not Available

ChEBI ID

145223

Good Scents ID

Not Available

References

General References

Showing NP-Card for Inodxyl glucuronide (NP0090875)

MOL for NP0090875 (Inodxyl glucuronide)

3D MOL for NP0090875 (Inodxyl glucuronide)

3D SDF for NP0090875 (Inodxyl glucuronide)

3D-SDF for NP0090875 (Inodxyl glucuronide)

PDB for NP0090875 (Inodxyl glucuronide)

3D PDB for NP0090875 (Inodxyl glucuronide)

SMILES for NP0090875 (Inodxyl glucuronide)

INCHI for NP0090875 (Inodxyl glucuronide)

Structure for NP0090875 (Inodxyl glucuronide)

3D Structure for NP0090875 (Inodxyl glucuronide)