NP-MRD: Showing NP-Card for 6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid (NP0325284)

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Record Information

Version

2.0

Created at

2022-09-12 05:55:13 UTC

Updated at

2022-09-12 05:55:14 UTC

NP-MRD ID

NP0325284

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid

Description

6-(2-Formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1R)-1-methoxy-3-methylbutyl]benzoic 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. 6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid is found in Dendrospora tenella. Based on a literature review very few articles have been published on 6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1R)-1-methoxy-3-methylbutyl]benzoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122207552D          

 29 30  0  0  1  0            999 V2000
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   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
   -1.4289   -4.1250    0.0000 C   0  0  1  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
   -2.1434   -2.8875    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
   -1.4289   -2.4750    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
   -0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -8.6625    0.0000 O   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
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 O   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
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 24 25  2  0  0  0  0
 14 26  2  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END

     RDKit          3D

 55 56  0  0  0  0  0  0  0  0999 V2000
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   -0.7072    1.2102   -2.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4641    0.2848   -1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410   -0.0642   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1168    0.2115    0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7584    1.8416    0.2051 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7417   -0.9286   -0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5590    0.2577    0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881   -0.1731    1.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9856   -0.6650    1.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214   -0.5066    2.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6096    0.1108    3.5714 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290   -0.2741   -1.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8071    0.1890   -1.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563   -0.3885   -3.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5196   -0.2074   -3.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4387    2.5709   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3679   -2.2993    1.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2134   -2.4920   -2.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4355   -1.0251   -1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6838    1.1588   -0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2885   -0.5411    0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458    0.5332    1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6043    0.3322    2.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1306   -0.8582    2.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    2.1096   -2.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0
 10  5  1  0
  5  6  1  0
  6  7  1  0
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  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  1  0
  3 26  1  0
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 27 29  1  0
 27 28  2  0
 26 14  2  0
 14 15  1  0
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 14 13  1  0
 13 12  2  0
 12  4  1  0
 23 16  1  0
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  1 30  1  0
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 21 50  1  0
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 13 47  1  0
 12 46  1  0
M  END


  Mrv1652309122207552D          

 29 30  0  0  1  0            999 V2000
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   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
   -1.4289   -4.1250    0.0000 C   0  0  1  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
   -2.1434   -2.8875    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
   -1.4289   -2.4750    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
   -0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  1  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 16 23  1  0  0  0  0
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  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0325284

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H](CC(C)C)C1=C(OC)C(C(O)=O)=C(OC2=C(O)C=C(C)C=C2C=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H26O7/c1-12(2)8-18(27-4)15-6-7-17(19(22(25)26)21(15)28-5)29-20-14(11-23)9-13(3)10-16(20)24/h6-7,9-12,18,24H,8H2,1-5H3,(H,25,26)/t18-/m1/s1

> <INCHI_KEY>
YZWSXDKWBMBIFO-GOSISDBHSA-N

> <FORMULA>
C22H26O7

> <MOLECULAR_WEIGHT>
402.443

> <EXACT_MASS>
402.167853177

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
42.225655288684536

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1R)-1-methoxy-3-methylbutyl]benzoic acid

> <JCHEM_LOGP>
4.442264971

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.083381988353374

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.178032764586791

> <JCHEM_PKA_STRONGEST_BASIC>
-3.619448106813151

> <JCHEM_POLAR_SURFACE_AREA>
102.29

> <JCHEM_REFRACTIVITY>
109.28379999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1R)-1-methoxy-3-methylbutyl]benzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.335  -9.240   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  -7.700   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      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.335  -4.620   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  -6.930   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.000 -12.320   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667 -16.940   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000 -16.940   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.667 -16.940   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -4.001 -16.170   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.335 -13.860   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   26                                                  
CONECT    4    3    5   12                                                  
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5   11                                                       
CONECT   11   10                                                            
CONECT   12    4   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   26                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   16   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   14    3   27                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   60    0
END

View in JSmol

Synonyms

Value	Source
6-(2-Formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1R)-1-methoxy-3-methylbutyl]benzoate	Generator

Chemical Formula

C₂₂H₂₆O₇

Average Mass

402.4430 Da

Monoisotopic Mass

402.16785 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CO[C@H](CC(C)C)C1=C(OC)C(C(O)=O)=C(OC2=C(O)C=C(C)C=C2C=O)C=C1

InChI Identifier

InChI=1S/C22H26O7/c1-12(2)8-18(27-4)15-6-7-17(19(22(25)26)21(15)28-5)29-20-14(11-23)9-13(3)10-16(20)24/h6-7,9-12,18,24H,8H2,1-5H3,(H,25,26)/t18-/m1/s1

InChI Key

YZWSXDKWBMBIFO-GOSISDBHSA-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
Dendrospora tenella	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
Diaryl ether
O-methoxybenzoic acid or derivatives
Benzoic acid or derivatives
Benzoic acid
Benzylether
Hydroxybenzaldehyde
Anisole
Benzaldehyde
Phenoxy compound
Benzoyl
M-cresol
Phenol ether
Methoxybenzene
1-hydroxy-4-unsubstituted benzenoid
Aryl-aldehyde
Toluene
Phenol
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Carboxylic acid
Carboxylic acid derivative
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Aldehyde
Organic oxide
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

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163046655

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid (NP0325284)

MOL for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)

3D MOL for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)

3D SDF for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)

3D-SDF for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)

PDB for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)

3D PDB for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)

SMILES for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)

INCHI for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)

Structure for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)

3D Structure for NP0325284 (6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[(1r)-1-methoxy-3-methylbutyl]benzoic acid)