NP-MRD: Showing NP-Card for 2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol (NP0315905)

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Record Information

Version

2.0

Created at

2022-09-11 14:46:26 UTC

Updated at

2022-09-11 14:46:26 UTC

NP-MRD ID

NP0315905

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

3,4,5-Trimethoxyphenyl glucoside 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. 2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol is found in Ailanthus integrifolia, Annona cherimola, Betula pendula, Bruguiera rhynchopetala, Chaenomeles sinensis, Cladogynos orientalis, Dracaena angustifolia, Joannesia princeps, Lindera praecox, Miliusa balansae, Quillaja saponaria, Smilax glabra, Taxodium distichum and Walsura robusta. 3,4,5-Trimethoxyphenyl glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 47  0  0  0  0  0  0  0  0999 V2000
   -2.5257   -2.9630   -2.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3336   -1.8905   -1.7962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8176   -0.8127   -1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4510   -0.7601   -0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065    0.2943   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4133    0.4382    0.2428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.4346   -0.0397 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4107    0.2471   -0.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4937    0.6868   -0.0622 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3807    1.4772   -1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    2.5441   -1.5346 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260   -0.4269    0.5114 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1320    0.0774    1.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4197   -1.4717    1.1454 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8608   -1.8085    2.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300   -0.9229    1.2739 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9839    0.0821    2.2092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727    1.3065    0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1052    1.2945    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9016    2.3422    0.4647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3808    3.4371    1.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6202    0.2254   -0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9790    0.1582   -0.9704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8684   -0.4572   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2024   -3.6158   -1.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5673   -2.5888   -2.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0396   -3.5915   -2.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8038   -1.5523   -1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1275   -1.3167   -0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2199    1.4107    0.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5818    0.8048   -1.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2910    1.8445   -0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9059    2.7955   -0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9481   -0.8900   -0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9381   -0.4693    1.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3681   -2.3893    0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0924   -2.7574    2.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -1.7610    1.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2771   -0.0876    2.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3775    2.1512    0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7612    4.0552    0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1821    4.0934    1.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7300    3.1270    2.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9159   -0.3285   -0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7388   -0.0277    0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7015   -1.5694   -0.0933 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
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
 23 24  1  0
 22  3  1  0
 16  7  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  7 29  1  6
  9 30  1  1
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  6
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  0
 21 41  1  0
 21 42  1  0
 21 43  1  0
 24 44  1  0
 24 45  1  0
 24 46  1  0
M  END


  Mrv0541 02241207522D          

 24 25  0  0  0  0            999 V2000
    0.3571    2.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584    3.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727    0.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584   -1.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571   -0.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883   -1.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883   -1.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5027   -2.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5027   -3.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -3.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0741   -2.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584   -1.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571   -2.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5027    0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870    0.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713    0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570    0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    1.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870    1.8578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870    2.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0315905

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3

> <INCHI_KEY>
NBLLRWANAFOKON-UHFFFAOYSA-N

> <FORMULA>
C15H22O9

> <MOLECULAR_WEIGHT>
346.3298

> <EXACT_MASS>
346.126382302

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
33.61802679813543

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.37

> <JCHEM_LOGP>
-1.0714013960000002

> <ALOGPS_LOGS>
-1.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.196090123440953

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.200138239156503

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923437587418

> <JCHEM_POLAR_SURFACE_AREA>
127.07000000000002

> <JCHEM_REFRACTIVITY>
79.5729

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.06e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       0.667   5.009   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.669   5.780   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -2.002   0.385   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -2.002  -1.156   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.669  -1.927   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.667  -1.156   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -3.338  -1.924   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.338  -3.468   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.672  -4.236   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.672  -5.780   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -2.002  -5.778   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -2.005  -4.239   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.669  -3.465   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.667  -4.236   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.672   1.156   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.336   0.385   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.000   1.156   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.667   0.388   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.666   1.158   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.669   2.697   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.667   3.468   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.000   2.697   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.336   3.468   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.336   5.009   0.000  0.00  0.00           C+0
CONECT    1    2   21                                                       
CONECT    2    1                                                            
CONECT    3    4   19                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6   13                                                  
CONECT    6    5                                                            
CONECT    7    4    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11   12                                                            
CONECT   12    8   11   13                                                  
CONECT   13    5   12   14                                                  
CONECT   14   13                                                            
CONECT   15   16                                                            
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19    3   18   20                                                  
CONECT   20   19   21                                                       
CONECT   21    1   20   22                                                  
CONECT   22   17   21   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Value	Source
3,4,5-Trimethoxyphenyl beta-D-glucopyranoside	HMDB

Chemical Formula

C₁₅H₂₂O₉

Average Mass

346.3298 Da

Monoisotopic Mass

346.12638 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1OC

InChI Identifier

InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3

InChI Key

NBLLRWANAFOKON-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
Ailanthus integrifolia	LOTUS Database	35616633
Annona cherimola	LOTUS Database	35616633
Betula pendula	LOTUS Database	35616633
Bruguiera x rhynchopetala	LOTUS Database	35616633
Chaenomeles sinensis	LOTUS Database	35616633
Cladogynos orientalis	LOTUS Database	35616633
Dracaena angustifolia	LOTUS Database	35616633
Joannesia princeps	LOTUS Database	35616633
Lindera praecox	LOTUS Database	35616633
Miliusa balansae	LOTUS Database	35616633
Quillaja saponaria	LOTUS Database	35616633
Smilax glabra	LOTUS Database	35616633
Taxodium distichum	LOTUS Database	35616633
Walsura robusta	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
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Monosaccharide
Benzenoid
Oxane
Secondary alcohol
Organoheterocyclic compound
Ether
Acetal
Oxacycle
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	-0.37	ALOGPS
logP	-1.1	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	127.07 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	79.57 m³·mol⁻¹	ChemAxon
Polarizability	33.62 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

HMDB0041189

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB021086

KNApSAcK ID

C00034384

Chemspider ID

20479156

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13922637

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol (NP0315905)

MOL for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)

3D MOL for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)

3D SDF for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)

3D-SDF for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)

PDB for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)

3D PDB for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)

SMILES for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)

INCHI for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)

Structure for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)

3D Structure for NP0315905 (2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol)