NP-MRD: Showing NP-Card for (4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid (NP0199287)

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Record Information

Version

2.0

Created at

2022-09-04 17:53:57 UTC

Updated at

2022-09-04 17:53:57 UTC

NP-MRD ID

NP0199287

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

Description

(2S,3R,4S)-3,4-dihydroxy-2-{[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-3,4-dihydro-2H-pyran-6-carboxylic acid belongs to the class of organic compounds known as disaccharides. Disaccharides are compounds containing two carbohydrate moieties linked to each to each other through a glycosidic bond, no set of three or more glycosidically linked carbohydrate units. (4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid is found in Arabidopsis thaliana and Lepidium sativum. Based on a literature review very few articles have been published on (2S,3R,4S)-3,4-dihydroxy-2-{[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-3,4-dihydro-2H-pyran-6-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 41  0  0  0  0  0  0  0  0999 V2000
   -4.8042    0.2712    0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7163   -0.4617   -0.1291 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8699   -1.0115    0.7833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6222   -1.3625    0.2967 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8909   -1.8409    1.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8978   -0.2420   -0.3638 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3185    0.0109    0.2159 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844   -0.1385   -0.6643 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0788    1.0908   -0.6986 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544    1.3569    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3718    2.6227    0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    3.5607    0.6426 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4843    2.7891    1.5927 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0386    0.3597    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7492   -0.9090   -0.4228 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9800   -0.7486   -1.7918 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2805   -1.2384   -0.1578 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1755   -1.4273    1.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7806    0.9930   -0.4352 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1094    1.4759    0.8165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0929    0.5203   -1.0743 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7638   -0.1355   -2.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1864    1.1186    0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3433    0.6904    1.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5727   -0.4518    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2545   -1.2266   -0.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7121   -2.2404   -0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6965   -1.1042    2.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930   -0.5145   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0336   -0.4393   -1.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5157    2.3295    2.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9008    0.5093    0.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3466   -1.7218    0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1819   -1.6261   -2.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798   -2.2112   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -2.3742    1.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2954    1.7715   -1.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3363    1.5488    1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7178    1.3793   -1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2877   -0.9725   -2.3526 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
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 10 11  1  0
 11 13  1  0
 11 12  2  0
  6 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21  2  1  0
 17  8  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  6
  4 27  1  6
  5 28  1  0
  6 29  1  6
  8 30  1  6
 14 32  1  0
 15 33  1  1
 16 34  1  0
 17 35  1  6
 18 36  1  0
 13 31  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  6
 22 40  1  0
M  END


  Mrv1652309042219532D          

 22 23  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  1  0  0  0
  6 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0199287

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@H](O)[C@H](O[C@H]2OC(=C[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H18O10/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18/h2-4,6-9,11-16,19H,1H3,(H,17,18)/t3-,4-,6-,7+,8+,9+,11-,12+/m0/s1

> <INCHI_KEY>
PBUKNNGDHZLXKG-VGTJAOMCSA-N

> <FORMULA>
C12H18O10

> <MOLECULAR_WEIGHT>
322.266

> <EXACT_MASS>
322.08999678

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
29.35118435636169

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S)-3,4-dihydroxy-2-{[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-3,4-dihydro-2H-pyran-6-carboxylic acid

> <JCHEM_LOGP>
-2.5972615973333326

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.285758919082857

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1692421120405387

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4544885868113298

> <JCHEM_POLAR_SURFACE_AREA>
166.14000000000001

> <JCHEM_REFRACTIVITY>
67.0214

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4S,5R,6S)-4,5-dihydroxy-6-{[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4H-pyran-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   19                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   17                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    8   18                                                  
CONECT   18   17                                                            
CONECT   19    6   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    2   22                                                  
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
(2S,3R,4S)-3,4-Dihydroxy-2-{[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-3,4-dihydro-2H-pyran-6-carboxylate	Generator

Chemical Formula

C₁₂H₁₈O₁₀

Average Mass

322.2660 Da

Monoisotopic Mass

322.09000 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@H](O)[C@H](O[C@H]2OC(=C[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C12H18O10/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18/h2-4,6-9,11-16,19H,1H3,(H,17,18)/t3-,4-,6-,7+,8+,9+,11-,12+/m0/s1

InChI Key

PBUKNNGDHZLXKG-VGTJAOMCSA-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
Arabidopsis thaliana	LOTUS Database	35616633
Lepidium sativum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as disaccharides. Disaccharides are compounds containing two carbohydrate moieties linked to each to each other through a glycosidic bond, no set of three or more glycosidically linked carbohydrate units.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Disaccharides

Alternative Parents

Substituents

Disaccharide
Oxane
Hemiacetal
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Carbonyl group
Alcohol
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	-2.6	ChemAxon
pKa (Strongest Acidic)	3.17	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4444555

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5281110

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for (4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid (NP0199287)

MOL for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)

3D MOL for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)

3D SDF for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)

3D-SDF for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)

PDB for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)

3D PDB for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)

SMILES for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)

INCHI for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)

Structure for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)

3D Structure for NP0199287 ((4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid)