NP-MRD: Showing NP-Card for (3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid (NP0226370)

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Record Information

Version

2.0

Created at

2022-09-06 05:23:00 UTC

Updated at

2022-09-06 05:23:00 UTC

NP-MRD ID

NP0226370

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid

Description

2-(3-Bromo-5-hydroxy-4-methoxyphenyl)-2-(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. (3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid is found in Rhodomela confervoides. 2-(3-Bromo-5-hydroxy-4-methoxyphenyl)-2-(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 36  0  0  0  0  0  0  0  0999 V2000
    5.4222    1.1873   -0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1573    1.7543   -0.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    1.0373   -0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1609    0.5269   -1.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598    0.7381   -2.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -0.1813   -0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7283   -0.3949    0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4415   -1.1451    1.0249 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4611   -2.4889    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4613   -2.7996   -0.3875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4567   -3.3815    0.6680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343   -0.4813    0.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4986   -0.9581   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7102   -0.4273   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4822   -0.9025   -1.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1913    0.6484    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4216    1.2154   -0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4623    1.1604    1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1443    2.6535    2.0909 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2417    0.5849    1.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950    1.3258    2.8924 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5834    0.1175    1.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182    0.8290    1.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8832    1.5262    2.5360 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    0.0980   -0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9397    1.6686   -1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0842    1.4359    0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2797    1.2527   -2.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -0.5597   -1.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4233   -1.2503    2.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1608   -3.2955    1.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475   -1.7996   -0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1335   -1.6910   -2.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7664    1.9980    0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413   -0.0015    2.6200 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
  4  6  1  0
  6  7  2  0
  7 22  1  0
 22 23  2  0
 23 24  1  0
  7  8  1  0
  8  9  1  0
  9 11  1  0
  9 10  2  0
  8 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 23  3  1  0
 20 12  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  5 28  1  0
  6 29  1  0
 22 35  1  0
  8 30  1  1
 11 31  1  0
 13 32  1  0
 15 33  1  0
 17 34  1  0
M  END


  Mrv1533004181502182D          

 24 25  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
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   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
    3.5724   -1.2375    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
    2.1434   -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
    0.7145   -1.2375    0.0000 Br  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   -4.1250    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
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    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   -3.7125    0.0000 Br  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
    0.7145   -2.8875    0.0000 Br  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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0226370

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=C(C=C1Br)C(C(O)=O)C1=CC(O)=C(O)C(Br)=C1Br

> <INCHI_IDENTIFIER>
InChI=1S/C15H11Br3O6/c1-24-14-7(16)2-5(3-9(14)20)10(15(22)23)6-4-8(19)13(21)12(18)11(6)17/h2-4,10,19-21H,1H3,(H,22,23)

> <INCHI_KEY>
JOTRTLAVSWDUMF-UHFFFAOYSA-N

> <FORMULA>
C15H11Br3O6

> <MOLECULAR_WEIGHT>
526.959

> <EXACT_MASS>
523.810577

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
38.282781261547214

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3-bromo-5-hydroxy-4-methoxyphenyl)-2-(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid

> <ALOGPS_LOGP>
4.73

> <JCHEM_LOGP>
4.5256750016666665

> <ALOGPS_LOGS>
-4.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.543957220845139

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.86003003520434

> <JCHEM_PKA_STRONGEST_BASIC>
-4.935279159291662

> <JCHEM_POLAR_SURFACE_AREA>
107.22000000000001

> <JCHEM_REFRACTIVITY>
97.3094

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.07e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-APR-15         0                                  
HETATM    1  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       5.335  -4.620   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       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   10 Br   UNK     0       1.334  -2.310   0.000  0.00  0.00          Br+0
HETATM   11  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   22 Br   UNK     0      -1.334  -6.930   0.000  0.00  0.00          Br+0
HETATM   23  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   24 Br   UNK     0       1.334  -5.390   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8    3   10                                                  
CONECT   10    9                                                            
CONECT   11    7   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   15   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Value	Source
2-(3-Bromo-5-hydroxy-4-methoxyphenyl)-2-(2,3-dibromo-4,5-dihydroxyphenyl)acetate	Generator
2-(3-Bromo-4-methoxy-5-hydroxyphenyl)-2-(2,3-dibromo-4,5-dihydroxyphenyl)acetate	Generator

Chemical Formula

C₁₅H₁₁Br₃O₆

Average Mass

526.9590 Da

Monoisotopic Mass

523.81058 Da

IUPAC Name

2-(3-bromo-5-hydroxy-4-methoxyphenyl)-2-(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid

Traditional Name

(3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=C(C=C1Br)C(C(O)=O)C1=CC(O)=C(O)C(Br)=C1Br

InChI Identifier

InChI=1S/C15H11Br3O6/c1-24-14-7(16)2-5(3-9(14)20)10(15(22)23)6-4-8(19)13(21)12(18)11(6)17/h2-4,10,19-21H,1H3,(H,22,23)

InChI Key

JOTRTLAVSWDUMF-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
Rhodomela confervoides	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylmethanes

Direct Parent

Diphenylmethanes

Alternative Parents

Substituents

Diphenylmethane
Methoxyphenol
Anisole
Catechol
Phenoxy compound
4-halophenol
3-halophenol
2-halophenol
3-bromophenol
2-bromophenol
4-bromophenol
Phenol ether
Methoxybenzene
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Halobenzene
Bromobenzene
1-hydroxy-4-unsubstituted benzenoid
Aryl bromide
Aryl halide
Ether
Carboxylic acid
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Hydrocarbon derivative
Organohalogen compound
Organobromide
Organooxygen compound
Organic oxide
Carbonyl group
Organic oxygen 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	4.73	ALOGPS
logP	4.53	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	1.86	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	107.22 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	97.31 m³·mol⁻¹	ChemAxon
Polarizability	38.28 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

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

11375948

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid (NP0226370)

MOL for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)

3D MOL for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)

3D SDF for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)

3D-SDF for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)

PDB for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)

3D PDB for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)

SMILES for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)

INCHI for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)

Structure for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)

3D Structure for NP0226370 ((3-bromo-5-hydroxy-4-methoxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)acetic acid)