NP-MRD: Showing NP-Card for Mesquitol-4beta-ol 3,8-dimethyl ether (NP0056237)

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Record Information

Version

2.0

Created at

2022-04-28 02:04:16 UTC

Updated at

2022-04-28 02:04:16 UTC

NP-MRD ID

NP0056237

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Mesquitol-4beta-ol 3,8-dimethyl ether

Description

Mesquitol-4beta-ol 3,8-dimethyl ether belongs to the class of organic compounds known as leucoanthocyanidins. These are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions. Thus, mesquitol-4beta-ol 3,8-dimethyl ether is considered to be a flavonoid. Mesquitol-4beta-ol 3,8-dimethyl ether is found in Acacia saxatilis. Based on a literature review very few articles have been published on Mesquitol-4beta-ol 3,8-dimethyl ether.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.2174   -2.7660    2.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241   -2.5266    0.7194 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920   -1.3052    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9104   -1.1839   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635   -2.2778   -0.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825    0.0524   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5134    1.1398   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1952    1.0084   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595   -0.2120    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -0.3834    0.5738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5090    0.6856    0.5618 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8349    0.0584    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8693    0.4974    1.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1433   -0.0644    1.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4069   -1.0680    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6923   -1.6288    0.0917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3735   -1.5079   -0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6342   -2.5107   -1.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -0.9487   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1466    1.5966   -0.5722 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0583    2.6061   -0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6342    2.5917   -2.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    2.1341   -0.3132 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3083    2.8672    0.8641 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456   -2.5464    2.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4919   -2.0891    2.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307   -3.8146    2.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7277   -2.1644   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4233    0.1198   -0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9104    2.0875   -0.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3879    1.1884    1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7168    1.2745    1.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9631    0.2773    1.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4538   -1.3110    0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9466   -2.9047   -2.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2807   -1.2965   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880    0.9896   -1.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1803    1.6588   -2.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284    2.8859   -2.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4157    3.4028   -2.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5218    2.8031   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548    2.5846    1.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 21  1  0
 21 20  1  0
 20 23  1  0
 23 24  1  0
 23  8  1  0
  8  7  2  0
  7  6  1  0
  6  4  2  0
  4  5  1  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
  3  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 11 20  1  0
 19 12  1  0
  9  8  1  0
 22 38  1  0
 22 39  1  0
 22 40  1  0
 20 37  1  6
 23 41  1  6
 24 42  1  0
  7 30  1  0
  6 29  1  0
  5 28  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 11 31  1  1
 13 32  1  0
 14 33  1  0
 16 34  1  0
 18 35  1  0
 19 36  1  0
M  END

  Mrv1652304282204042D          

 24 26  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  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   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
    2.8579   -0.0000    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
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  1  0  0  0
 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 10 16  1  6  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0056237

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]1[C@@H](O)C2=CC=C(O)C(OC)=C2O[C@@H]1C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H18O7/c1-22-16-11(19)6-4-9-13(21)17(23-2)14(24-15(9)16)8-3-5-10(18)12(20)7-8/h3-7,13-14,17-21H,1-2H3/t13-,14+,17-/m0/s1

> <INCHI_KEY>
SWCSSABAWPGWAQ-VBQJREDUSA-N

> <FORMULA>
C17H18O7

> <MOLECULAR_WEIGHT>
334.324

> <EXACT_MASS>
334.10525292

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
32.86561699075432

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4,7-diol

> <ALOGPS_LOGP>
1.31

> <JCHEM_LOGP>
1.665131428

> <ALOGPS_LOGS>
-2.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.99405226387089

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.129943747369008

> <JCHEM_PKA_STRONGEST_BASIC>
-3.620485391809016

> <JCHEM_POLAR_SURFACE_AREA>
108.61000000000001

> <JCHEM_REFRACTIVITY>
84.44069999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4,7-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-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  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    6   24                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   12                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    5   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11    4   13                                                  
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14                                                            
CONECT   16   10   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20   16                                                       
CONECT   22   20                                                            
CONECT   23   19                                                            
CONECT   24    1                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
Mesquitol-4b-ol 3,8-dimethyl ether	Generator
Mesquitol-4β-ol 3,8-dimethyl ether	Generator

Chemical Formula

C₁₇H₁₈O₇

Average Mass

334.3240 Da

Monoisotopic Mass

334.10525 Da

IUPAC Name

(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4,7-diol

Traditional Name

(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4,7-diol

CAS Registry Number

Not Available

SMILES

CO[C@H]1[C@@H](O)C2=CC=C(O)C(OC)=C2O[C@@H]1C1=CC=C(O)C(O)=C1

InChI Identifier

InChI=1S/C17H18O7/c1-22-16-11(19)6-4-9-13(21)17(23-2)14(24-15(9)16)8-3-5-10(18)12(20)7-8/h3-7,13-14,17-21H,1-2H3/t13-,14+,17-/m0/s1

InChI Key

SWCSSABAWPGWAQ-VBQJREDUSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Acacia saxatilis	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as leucoanthocyanidins. These are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Leucoanthocyanidins

Alternative Parents

Substituents

3-methoxyflavonoid-skeleton
8-methoxyflavonoid-skeleton
Leucoanthocyanidin-skeleton
3'-hydroxyflavonoid
4'-hydroxyflavonoid
4-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
1-benzopyran
Chromane
Benzopyran
Anisole
Phenol ether
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Dialkyl ether
Ether
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavans, Flavanols and Leucoanthocyanidins (LMPK12020195 )

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	1.31	ALOGPS
logP	1.67	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	9.13	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	108.61 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	84.44 m³·mol⁻¹	ChemAxon
Polarizability	32.87 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00009013

Chemspider ID

24842612

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44257150

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Mesquitol-4beta-ol 3,8-dimethyl ether (NP0056237)

MOL for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)

3D MOL for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)

3D SDF for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)

3D-SDF for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)

PDB for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)

3D PDB for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)

SMILES for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)

INCHI for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)

Structure for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)

3D Structure for NP0056237 (Mesquitol-4beta-ol 3,8-dimethyl ether)