NP-MRD: Showing NP-Card for 2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid (NP0290858)

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Record Information

Version

2.0

Created at

2022-09-09 21:43:56 UTC

Updated at

2022-09-09 21:43:56 UTC

NP-MRD ID

NP0290858

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid

Description

2-(4-Hydroxyphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). 2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid is found in Drypetes gossweileri. Based on a literature review very few articles have been published on 2-(4-hydroxyphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 42  0  0  0  0  0  0  0  0999 V2000
   -2.5405   -2.1274    0.7921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1329   -1.1180    1.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564    0.2642    0.9600 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4281    0.4843    1.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7919    0.9232   -0.1125 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3684   -0.2249   -0.8896 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -1.0835   -0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7934   -2.1252   -1.3447 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1351   -0.9552    0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096   -0.8349    0.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1992    0.3792    0.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5593    0.5248    0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3621   -0.6040    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7278   -0.4502    0.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7681   -1.8394    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992   -1.9604    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388    1.8378   -1.0173 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0787    3.1695   -0.8846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0246    1.8441   -0.8229 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6432    2.1938   -2.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879    0.4319   -0.4018 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7593    0.2534   -0.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244   -2.7696    1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2368   -1.1791    1.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7612   -1.1417    2.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2663    0.9926    1.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376    1.4514    0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7663   -3.0835   -0.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8996   -1.8283    1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070   -0.0533    1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5863    1.2710    0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0287    1.4840    0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3303   -0.3345    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3773   -2.7310    0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9477   -2.9313    0.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3573    1.5859   -2.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7326    3.7543   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2837    2.5526   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5326    3.1864   -2.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029   -0.2543   -1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2809    1.0452   -0.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  5 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21  3  1  0
 16 10  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  1
  5 27  1  1
  8 28  1  0
  9 29  1  0
  9 30  1  0
 11 31  1  0
 12 32  1  0
 14 33  1  0
 15 34  1  0
 16 35  1  0
 17 36  1  6
 18 37  1  0
 19 38  1  1
 20 39  1  0
 21 40  1  6
 22 41  1  0
M  END


  Mrv1652309092223432D          

 22 23  0  0  1  0            999 V2000
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  2  0  0  0  0
  7  8  1  4  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 10 16  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0290858

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](N=C(O)CC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H19NO7/c16-6-9-11(19)12(20)13(21)14(22-9)15-10(18)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-17,19-21H,5-6H2,(H,15,18)/t9-,11-,12+,13-,14-/m1/s1

> <INCHI_KEY>
WBCJLLACAHOLSS-RGCYKPLRSA-N

> <FORMULA>
C14H19NO7

> <MOLECULAR_WEIGHT>
313.306

> <EXACT_MASS>
313.116151956

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
30.566550260707658

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-hydroxyphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid

> <JCHEM_LOGP>
-0.870195786666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.507556384270746

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.9276606118640816

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0541007000121976

> <JCHEM_POLAR_SURFACE_AREA>
142.97

> <JCHEM_REFRACTIVITY>
74.24919999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-hydroxyphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic 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  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       8.002  -7.700   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.668 -10.010   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.336 -16.170   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   17                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   10                                                       
CONECT   17    5   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    3   22                                                  
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
2-(4-Hydroxyphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidate	Generator

Chemical Formula

C₁₄H₁₉NO₇

Average Mass

313.3060 Da

Monoisotopic Mass

313.11615 Da

IUPAC Name

2-(4-hydroxyphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid

Traditional Name

2-(4-hydroxyphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](N=C(O)CC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C14H19NO7/c16-6-9-11(19)12(20)13(21)14(22-9)15-10(18)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-17,19-21H,5-6H2,(H,15,18)/t9-,11-,12+,13-,14-/m1/s1

InChI Key

WBCJLLACAHOLSS-RGCYKPLRSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Drypetes gossweileri	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glycosylamines

Alternative Parents

Substituents

Hexose monosaccharide
N-glycosyl compound
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Monosaccharide
Oxane
Benzenoid
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Polyol
Propargyl-type 1,3-dipolar organic compound
Organic nitrogen compound
Organonitrogen compound
Alcohol
Organopnictogen compound
Primary alcohol
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	-0.87	ChemAxon
pKa (Strongest Acidic)	4.93	ChemAxon
pKa (Strongest Basic)	-1.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	142.97 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	74.25 m³·mol⁻¹	ChemAxon
Polarizability	30.57 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

External Links

HMDB ID

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DrugBank ID

Not Available

Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

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Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

162866738

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid (NP0290858)

MOL for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)

3D MOL for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)

3D SDF for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)

3D-SDF for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)

PDB for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)

3D PDB for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)

SMILES for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)

INCHI for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)

Structure for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)

3D Structure for NP0290858 (2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid)