NP-MRD: Showing NP-Card for 2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (NP0273477)

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Record Information

Version

2.0

Created at

2022-09-08 20:32:14 UTC

Updated at

2022-09-08 20:32:14 UTC

NP-MRD ID

NP0273477

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Description

Leonuriside A 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. Leonuriside A is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Leonuriside A has been detected, but not quantified in, several different foods, such as alcoholic beverages, coffee and coffee products, fruits, and tea. 2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is found in Elsholtzia bodinieri, Embelia ribes, Eupatorium chinense, Laguncularia racemosa, Morella rubra, Potalia amara, Prunus ssiori and Swertia japonica. This could make leonuriside a a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.5412    3.4246   -1.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8636    2.3832   -0.3400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3593    1.0854   -0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5121    0.8366   -1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087   -0.4349   -1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1645   -0.7039   -1.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3348   -1.4376   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1944   -1.1936    0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5429   -2.2518    0.8503 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867   -3.5297    0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664    0.1009    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5316    0.2522    0.9983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7948    0.1517    0.5694 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3211   -0.9938    1.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6566   -1.1772    0.9490 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9041   -1.4942   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2514   -2.6557   -0.9058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5387   -0.0138    1.3359 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8515   -0.1996    0.9367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0145    1.2356    0.6728 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6651    2.3775    1.1570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5460    1.3523    1.1049 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0093    2.5619    0.7548 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9695    4.3525   -1.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359    3.1398   -2.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185    3.6665   -0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0322    1.6294   -1.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6474    0.0321   -2.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7507   -2.4500   -0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053   -3.6014    1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4445   -4.2956    1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   -3.7674   -0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9288   -0.0182   -0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9698   -2.0775    1.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0058   -1.7214   -0.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7109   -0.6733   -1.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2144   -2.6181   -1.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5143    0.0921    2.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0734    0.3441    0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0925    1.1453   -0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1438    2.8284    0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5914    1.3259    2.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4279    2.9909   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11  3  1  0
 22 13  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  6 28  1  0
  7 29  1  0
 10 30  1  0
 10 31  1  0
 10 32  1  0
 13 33  1  6
 15 34  1  1
 16 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  1
 19 39  1  0
 20 40  1  6
 21 41  1  0
 22 42  1  1
 23 43  1  0
M  END


  Mrv0541 05061306052D          

 23 24  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    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
   -2.1434   -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  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   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
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    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
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20  1  1  0  0  0  0
 20  7  1  0  0  0  0
 21  2  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 22 14  1  0  0  0  0
 23 13  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0273477

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3

> <INCHI_KEY>
NOQYJICHFNSIFZ-UHFFFAOYSA-N

> <FORMULA>
C14H20O9

> <MOLECULAR_WEIGHT>
332.3032

> <EXACT_MASS>
332.110732238

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
31.76327346147599

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.90

> <JCHEM_LOGP>
-1.2172954520000003

> <ALOGPS_LOGS>
-1.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.20153019304542

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.82313719170174

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923662077906

> <JCHEM_POLAR_SURFACE_AREA>
138.07

> <JCHEM_REFRACTIVITY>
75.09060000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.61e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         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   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -8.002   1.540   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   21                                                            
CONECT    3    6    7                                                       
CONECT    4    6    8                                                       
CONECT    5    9   15                                                       
CONECT    6    3    4   16                                                  
CONECT    7    3   13   20                                                  
CONECT    8    4   13   21                                                  
CONECT    9    5   10   22                                                  
CONECT   10    9   11   17                                                  
CONECT   11   10   12   18                                                  
CONECT   12   11   14   19                                                  
CONECT   13    7    8   23                                                  
CONECT   14   12   22   23                                                  
CONECT   15    5                                                            
CONECT   16    6                                                            
CONECT   17   10                                                            
CONECT   18   11                                                            
CONECT   19   12                                                            
CONECT   20    1    7                                                       
CONECT   21    2    8                                                       
CONECT   22    9   14                                                       
CONECT   23   13   14                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
2,6-Dimethoxy-p-hydroquinone 1-O-beta-glucopyranoside	HMDB
4-Hydroxy-2,6-dimethoxyphenyl glucoside	HMDB

Chemical Formula

C₁₄H₂₀O₉

Average Mass

332.3032 Da

Monoisotopic Mass

332.11073 Da

IUPAC Name

2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3

InChI Key

NOQYJICHFNSIFZ-UHFFFAOYSA-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
Elsholtzia bodinieri	LOTUS Database	35616633
Embelia ribes	LOTUS Database	35616633
Eupatorium chinense	LOTUS Database	35616633
Laguncularia racemosa	LOTUS Database	35616633
Morella rubra	LOTUS Database	35616633
Potalia amara	LOTUS Database	35616633
Prunus ssiori	LOTUS Database	35616633
Swertia japonica	LOTUS Database	35616633

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
Hexose monosaccharide
O-glycosyl compound
Methoxyphenol
Dimethoxybenzene
M-dimethoxybenzene
4-alkoxyphenol
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Oxane
Monosaccharide
Monocyclic benzene moiety
Benzenoid
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Ether
Polyol
Hydrocarbon derivative
Alcohol
Primary alcohol
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	-0.9	ALOGPS
logP	-1.2	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	9.82	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	138.07 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	75.09 m³·mol⁻¹	ChemAxon
Polarizability	31.76 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

External Links

HMDB ID

HMDB0031721

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB008384

KNApSAcK ID

C00036467

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14237625

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-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (NP0273477)

MOL for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D MOL for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D SDF for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D-SDF for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

PDB for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D PDB for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

SMILES for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

INCHI for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

Structure for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D Structure for NP0273477 (2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)