NP-MRD: Showing NP-Card for (2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate (NP0236772)

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Record Information

Version

2.0

Created at

2022-09-06 19:45:32 UTC

Updated at

2022-09-06 19:45:32 UTC

NP-MRD ID

NP0236772

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate

Description

[(2E,6E)-1-Oxo-8-hydroxy-2,6-dimethylocta-2,6-dien-1-yl]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. (2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate is found in Penstemon virens. Based on a literature review very few articles have been published on [(2E,6E)-1-Oxo-8-hydroxy-2,6-dimethylocta-2,6-dien-1-yl]beta-D-glucopyranoside.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 50  0  0  0  0  0  0  0  0999 V2000
    4.4010   -0.7958   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2314   -1.5992    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8561   -1.4858    1.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442   -0.6000    2.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0496   -1.3216    3.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454   -2.4901   -0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711   -1.7386   -1.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708   -0.7268   -1.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    0.5305   -1.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273    1.0146   -2.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0591    1.4766   -1.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1685    2.6709   -1.6796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0187    1.0859   -0.6366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.8815   -0.1867 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1520    2.0850    1.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6827    0.9887    1.7949 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8121   -0.2421    1.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -1.2910    2.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0911    0.6935    1.3708 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9058    1.7788    1.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1343    0.4632   -0.1227 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6041   -0.7749   -0.3855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3969    1.6053   -0.7858 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2575    2.7231   -0.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2901   -1.0866    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2317    0.2688    0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249   -0.9609   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0055   -2.0659    1.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7752    0.1483    2.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457   -0.0103    2.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9326   -1.6954    3.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3306   -3.1706   -1.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8150   -3.1550   -0.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088   -1.2108   -2.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612   -2.4305   -2.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0952   -1.0240   -0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.9824   -2.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190    2.0548   -2.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2576    0.3621   -3.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838    2.9257   -0.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7695    1.2536    2.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474   -0.0687    2.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6098   -0.5793    0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924   -2.1365    2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5005   -0.1895    1.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6360    1.8571    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2029    0.5146   -0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2635   -1.3517   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3686    1.4400   -1.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8237    3.3959   -0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
 23 14  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
 10 37  1  0
 10 38  1  0
 10 39  1  0
 14 40  1  6
 16 41  1  1
 17 42  1  0
 17 43  1  0
 18 44  1  0
 19 45  1  1
 20 46  1  0
 21 47  1  6
 22 48  1  0
 23 49  1  6
 24 50  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
M  END


  Mrv1652309062221452D          

 24 24  0  0  1  0            999 V2000
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    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
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    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    3.3000    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
   -0.7145    2.0625    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
    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
  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
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0236772

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C16H26O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5-6,11-14,16-21H,3-4,7-8H2,1-2H3/b9-6+,10-5+/t11-,12-,13+,14-,16+/m1/s1

> <INCHI_KEY>
QZIOPOIUZGGXKI-KOYXEPTDSA-N

> <FORMULA>
C16H26O8

> <MOLECULAR_WEIGHT>
346.376

> <EXACT_MASS>
346.162767797

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
36.503469017448175

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate

> <JCHEM_LOGP>
-0.3406588649999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.194153116384133

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.195691282128376

> <JCHEM_PKA_STRONGEST_BASIC>
-2.217047406800316

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
85.33050000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate

> <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       1.334  11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.335  13.860   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4                                                            
CONECT    6    2    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   23                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   14   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
[(2E,6E)-1-oxo-8-Hydroxy-2,6-dimethylocta-2,6-dien-1-yl]b-D-glucopyranoside	Generator
[(2E,6E)-1-oxo-8-Hydroxy-2,6-dimethylocta-2,6-dien-1-yl]β-D-glucopyranoside	Generator

Chemical Formula

C₁₆H₂₆O₈

Average Mass

346.3760 Da

Monoisotopic Mass

346.16277 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C16H26O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5-6,11-14,16-21H,3-4,7-8H2,1-2H3/b9-6+,10-5+/t11-,12-,13+,14-,16+/m1/s1

InChI Key

QZIOPOIUZGGXKI-KOYXEPTDSA-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
Penstemon virens	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
Monocyclic monoterpenoid
Monoterpenoid
Fatty alcohol
Fatty acid ester
Oxane
Fatty acyl
Monosaccharide
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Polyol
Acetal
Oxacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Alcohol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Carbonyl group
Primary alcohol
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

10260559

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14635445

PDB ID

Not Available

ChEBI ID

181062

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate (NP0236772)

MOL for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D MOL for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D SDF for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D-SDF for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)

PDB for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D PDB for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)

SMILES for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)

INCHI for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)

Structure for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D Structure for NP0236772 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate)