NP-MRD: Showing NP-Card for 4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid (NP0301247)

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Record Information

Version

2.0

Created at

2022-09-10 14:05:12 UTC

Updated at

2022-09-10 14:05:12 UTC

NP-MRD ID

NP0301247

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid

Description

4-(4-Carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. 4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid is found in Elaeagnus pungens. Based on a literature review very few articles have been published on 4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 42  0  0  0  0  0  0  0  0999 V2000
   -3.3641   -2.3177   -2.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2337   -1.7612   -1.9985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3883   -0.8071   -1.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -0.3524   -0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7912    0.5947    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1060    1.0683    0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1122    0.5863    0.2066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3079    2.0073    1.7574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6253    1.0822    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3765    0.6282    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451   -0.3202   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237   -0.7721   -0.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1932   -0.3862   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003   -1.0117    0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431   -2.0720    1.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7047   -2.7711    2.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0291   -0.6272    1.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712    0.4348    0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    0.8650    1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5597    1.8331    0.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5533    0.2125    2.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    1.0959   -0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455    0.6737   -0.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768    1.3410   -1.9786 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943    2.4311   -2.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0606   -2.8162   -3.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8526   -2.9868   -1.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0265   -1.4503   -2.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5407   -0.7602   -1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0924    2.6513    1.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628    1.8200    1.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802    1.0306    1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137   -1.9979    3.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9488   -3.4460    2.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263   -3.3032    2.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108   -1.1237    2.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3446    0.6019    2.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6248    1.9181   -0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    3.1245   -1.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820    2.9882   -3.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7594    2.0945   -3.2323 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  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 18 19  1  0
 19 21  1  0
 19 20  2  0
  5  6  1  0
  6  8  1  0
  6  7  2  0
 11  3  1  0
 23 13  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  9 31  1  0
 10 32  1  0
 16 33  1  0
 16 34  1  0
 16 35  1  0
 17 36  1  0
 22 38  1  0
 25 39  1  0
 25 40  1  0
 25 41  1  0
 21 37  1  0
  8 30  1  0
M  END


  Mrv1652309102216052D          

 25 26  0  0  0  0            999 V2000
   -1.4289    0.0000    0.0000 C   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   -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
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  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
   -0.7145   -2.8875    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
   -1.4289   -1.6500    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
   -2.8579   -1.6500    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
   -2.1434   -2.8875    0.0000 O   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
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    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
   -3.5724   -0.4125    0.0000 O   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
  1  2  1  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  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  5  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0301247

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1OC1=C(OC)C=C(C=C1OC)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H16O8/c1-22-12-6-9(16(18)19)4-5-11(12)25-15-13(23-2)7-10(17(20)21)8-14(15)24-3/h4-8H,1-3H3,(H,18,19)(H,20,21)

> <INCHI_KEY>
QRRGNRFWUZEQAV-UHFFFAOYSA-N

> <FORMULA>
C17H16O8

> <MOLECULAR_WEIGHT>
348.307

> <EXACT_MASS>
348.084517475

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
33.58142859931374

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid

> <JCHEM_LOGP>
2.315685018

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.272447564808519

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.643538841150261

> <JCHEM_PKA_STRONGEST_BASIC>
-3.740904901626291

> <JCHEM_POLAR_SURFACE_AREA>
111.52000000000001

> <JCHEM_REFRACTIVITY>
86.20080000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0     -10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    5   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    3   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   23                                                  
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   18   23                                                       
CONECT   23   22   13   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

View in JSmol

Synonyms

Value	Source
4-(4-Carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoate	Generator

Chemical Formula

C₁₇H₁₆O₈

Average Mass

348.3070 Da

Monoisotopic Mass

348.08452 Da

IUPAC Name

4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid

Traditional Name

4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1OC1=C(OC)C=C(C=C1OC)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C17H16O8/c1-22-12-6-9(16(18)19)4-5-11(12)25-15-13(23-2)7-10(17(20)21)8-14(15)24-3/h4-8H,1-3H3,(H,18,19)(H,20,21)

InChI Key

QRRGNRFWUZEQAV-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
Elaeagnus pungens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylethers

Direct Parent

Diphenylethers

Alternative Parents

Substituents

Diphenylether
Gallic acid or derivatives
Diaryl ether
M-methoxybenzoic acid or derivatives
Dimethoxybenzene
M-dimethoxybenzene
Benzoic acid or derivatives
Benzoic acid
Methoxybenzene
Anisole
Benzoyl
Phenoxy compound
Phenol ether
Alkyl aryl ether
Dicarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Ether
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	2.32	ChemAxon
pKa (Strongest Acidic)	3.64	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	111.52 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	86.2 m³·mol⁻¹	ChemAxon
Polarizability	33.58 Å³	ChemAxon
Number of Rings	2	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

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

162916395

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid (NP0301247)

MOL for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)

3D MOL for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)

3D SDF for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)

3D-SDF for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)

PDB for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)

3D PDB for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)

SMILES for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)

INCHI for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)

Structure for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)

3D Structure for NP0301247 (4-(4-carboxy-2-methoxyphenoxy)-3,5-dimethoxybenzoic acid)