NP-MRD: Showing NP-Card for (2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0235857)

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Record Information

Version

2.0

Created at

2022-09-06 18:36:28 UTC

Updated at

2022-09-06 18:36:28 UTC

NP-MRD ID

NP0235857

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Description

3,7-Dimethyl-8-hydroxy-2,6-octadienyl beta-D-glucopyranoside belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. (2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol is found in Anethum graveolens, Cistanche tubulosa and Rosa gallica. Based on a literature review very few articles have been published on 3,7-Dimethyl-8-hydroxy-2,6-octadienyl beta-D-glucopyranoside.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 51  0  0  0  0  0  0  0  0999 V2000
    4.8752    1.1900   -1.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1437   -0.2013   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8635   -0.5479    0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2966    0.3879    1.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9666   -0.0147    2.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222   -0.1367    1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537   -1.0992    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8399    0.6577    1.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2279    0.5854    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657    0.2356    0.8166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214    0.1853   -0.1721 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4424    1.1205    0.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4728    0.8035   -0.8596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3973    1.9924   -1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7409    3.0814   -1.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -0.3039   -0.2530 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0805   -0.9593   -1.1882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3426   -1.2314    0.4674 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1424   -0.6785    1.7362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0021   -1.2195   -0.2294 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0680   -1.6133   -1.5432 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1816   -1.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9633   -0.7605   -1.9914 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4148    1.9229   -0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292    1.3031   -2.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7849    1.4124   -0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0705   -1.5834    1.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0440    0.5695    2.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1719    1.3724    1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797   -1.0281    2.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493    0.6728    3.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282   -1.8633    0.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910   -1.6836   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3091   -0.6332   -0.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    1.3389    2.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0288   -0.0754   -0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3536    1.6167   -0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545    0.4388   -1.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0384    0.5375   -1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1863    1.6488   -1.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8919    2.2468   -0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5204    3.7067   -0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9879    0.1535    0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1816   -1.9310   -0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7265   -2.2410    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8064   -1.0172    2.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -1.9316    0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9484   -1.9170   -1.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8412   -2.1517   -1.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0110   -1.3086   -2.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2102    0.1326   -1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 22  1  0
 22 23  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 11  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 22 49  1  0
 22 50  1  0
 23 51  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  7 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 11 38  1  6
 13 39  1  6
 14 40  1  0
 14 41  1  0
 15 42  1  0
 16 43  1  1
 17 44  1  0
 18 45  1  1
 19 46  1  0
 20 47  1  1
 21 48  1  0
M  END


  Mrv1652309062220362D          

 23 23  0  0  1  0            999 V2000
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    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
    2.8579    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
    1.4289    2.4750    0.0000 C   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
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  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
    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 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
    0.0000    0.0000    0.0000 C   0  0  2  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
    0.0000    0.8250    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
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  1  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0235857

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(CO)=C/CC\C(C)=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1

> <INCHI_KEY>
XZHWSTJFHFQEOY-WIBXJVRESA-N

> <FORMULA>
C16H28O7

> <MOLECULAR_WEIGHT>
332.393

> <EXACT_MASS>
332.183503242

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
36.29137843001507

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_LOGP>
-0.5492235063333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.19993517227886

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.210507742544406

> <JCHEM_PKA_STRONGEST_BASIC>
-2.0797068162582972

> <JCHEM_POLAR_SURFACE_AREA>
119.61000000000001

> <JCHEM_REFRACTIVITY>
85.37010000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       8.002  10.780   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.335  13.860   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   20                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   11   21                                                  
CONECT   21   20                                                            
CONECT   22    2   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
3,7-Dimethyl-8-hydroxy-2,6-octadienyl b-D-glucopyranoside	Generator
3,7-Dimethyl-8-hydroxy-2,6-octadienyl β-D-glucopyranoside	Generator

Chemical Formula

C₁₆H₂₈O₇

Average Mass

332.3930 Da

Monoisotopic Mass

332.18350 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C\C(CO)=C/CC\C(C)=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1

InChI Key

XZHWSTJFHFQEOY-WIBXJVRESA-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
Anethum graveolens	LOTUS Database	35616633
Cistanche tubulosa	LOTUS Database	35616633
Rosa gallica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Monoterpenoid
Monocyclic monoterpenoid
Fatty alcohol
Oxane
Monosaccharide
Fatty acyl
Secondary alcohol
Organoheterocyclic compound
Polyol
Oxacycle
Acetal
Primary alcohol
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
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

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

10394392

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14729929

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0235857)

MOL for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D MOL for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D SDF for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D-SDF for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

PDB for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D PDB for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

SMILES for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

INCHI for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

Structure for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D Structure for NP0235857 ((2r,3r,4s,5s,6r)-2-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)