NP-MRD: Showing NP-Card for 5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide (NP0339548)

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Record Information

Version

2.0

Created at

2024-09-11 22:23:30 UTC

Updated at

2024-09-11 22:23:31 UTC

NP-MRD ID

NP0339548

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide

Description

5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652303102016572D          

 34 36  0  0  1  0            999 V2000
    2.9049    5.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    4.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    8.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    4.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   10.4786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   10.8911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447    9.6536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   10.4786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   10.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    9.2411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    9.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698    4.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   10.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   11.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    9.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   10.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   11.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2398    5.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    8.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    9.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3074    6.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   11.3036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   11.3036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    8.8286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   10.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.8286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 15 16  1  1  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  2  0  0  0  0
 11 21  1  6  0  0  0
 12 22  1  1  0  0  0
 13 23  1  1  0  0  0
 24 16  2  0  0  0  0
 25 16  1  0  0  0  0
 26  7  1  0  0  0  0
 26 10  1  0  0  0  0
 27 14  1  0  0  0  0
 17 27  1  6  0  0  0
 28 15  1  0  0  0  0
 28 17  1  0  0  0  0
 29  7  1  0  0  0  0
 11 30  1  1  0  0  0
 12 31  1  6  0  0  0
 13 32  1  6  0  0  0
 15 33  1  1  0  0  0
 17 34  1  1  0  0  0
M  END


  Mrv1652303102016572D          

 34 36  0  0  1  0            999 V2000
    2.9049    5.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    4.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    8.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    4.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   10.4786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   10.8911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447    9.6536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   10.4786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   10.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    9.2411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    9.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698    4.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   10.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   11.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    9.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   10.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   11.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2398    5.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    8.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    9.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3074    6.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   11.3036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   11.3036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    8.8286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   10.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.8286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 15 16  1  1  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  2  0  0  0  0
 11 21  1  6  0  0  0
 12 22  1  1  0  0  0
 13 23  1  1  0  0  0
 24 16  2  0  0  0  0
 25 16  1  0  0  0  0
 26  7  1  0  0  0  0
 26 10  1  0  0  0  0
 27 14  1  0  0  0  0
 17 27  1  6  0  0  0
 28 15  1  0  0  0  0
 28 17  1  0  0  0  0
 29  7  1  0  0  0  0
 11 30  1  1  0  0  0
 12 31  1  6  0  0  0
 13 32  1  6  0  0  0
 15 33  1  1  0  0  0
 17 34  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0339548

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C1(CC2=CC(O)=C(O[C@]3([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)C(O)=C2)CCC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(20)26-7)5-9(19)14(8)27-17-13(23)11(21)12(22)15(28-17)16(24)25/h4-5,7,11-13,15,17-19,21-23H,1-3H2,(H,24,25)/t7?,11-,12-,13+,15-,17+/m0/s1

> <INCHI_KEY>
ATYNVCXMADLPJQ-YSVLGHOVSA-N

> <FORMULA>
C17H20O11

> <MOLECULAR_WEIGHT>
400.3341

> <EXACT_MASS>
400.100561482

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
37.10077531530408

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-6-{2,6-dihydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.06

> <JCHEM_LOGP>
-0.6360368223333333

> <ALOGPS_LOGS>
-1.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.54800854710895

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.895451756195147

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6868291978989394

> <JCHEM_POLAR_SURFACE_AREA>
183.21

> <JCHEM_REFRACTIVITY>
87.3004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-6-{2,6-dihydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0       5.422  10.185   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.898   8.720   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  12.630   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002  14.940   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.336  12.630   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002  13.400   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668  11.090   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336  15.710   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.669  13.400   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.438   8.720   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.337  19.560   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.003  20.330   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.337  18.020   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669  14.940   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.669  19.560   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.336  20.330   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.003  17.250   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       9.336  17.250   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      12.003  12.630   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.344   7.474   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      14.671  20.330   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      12.003  21.870   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      14.671  17.250   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       8.002  19.560   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       9.336  21.870   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       7.914  10.185   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      12.003  15.710   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      10.669  18.020   0.000  0.00  0.00           O+0
HETATM   29  H   UNK     0       8.040  11.789   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0      13.337  21.100   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0      10.669  21.100   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0      13.337  16.480   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      12.003  18.790   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      10.669  16.480   0.000  0.00  0.00           H+0
CONECT    1    2    7                                                       
CONECT    2    1   10                                                       
CONECT    3    6    7                                                       
CONECT    4    6    8                                                       
CONECT    5    6    9                                                       
CONECT    6    3    4    5                                                  
CONECT    7    1    3   26   29                                             
CONECT    8    4   14   18                                                  
CONECT    9    5   14   19                                                  
CONECT   10    2   20   26                                                  
CONECT   11   12   13   21   30                                             
CONECT   12   11   15   22   31                                             
CONECT   13   11   17   23   32                                             
CONECT   14    8    9   27                                                  
CONECT   15   12   16   28   33                                             
CONECT   16   15   24   25                                                  
CONECT   17   13   27   28   34                                             
CONECT   18    8                                                            
CONECT   19    9                                                            
CONECT   20   10                                                            
CONECT   21   11                                                            
CONECT   22   12                                                            
CONECT   23   13                                                            
CONECT   24   16                                                            
CONECT   25   16                                                            
CONECT   26    7   10                                                       
CONECT   27   14   17                                                       
CONECT   28   15   17                                                       
CONECT   29    7                                                            
CONECT   30   11                                                            
CONECT   31   12                                                            
CONECT   32   13                                                            
CONECT   33   15                                                            
CONECT   34   17                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Value	Source
5-(3',4',5'-Trihydroxyphenyl)-g-valerolactone-4'-O-glucuronide	Generator
5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone-4'-O-glucuronide	Generator
(2S,3S,4S,5R,6S)-6-{2,6-dihydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylate	Generator

Chemical Formula

C₁₇H₂₀O₁₁

Average Mass

400.3341 Da

Monoisotopic Mass

400.10056 Da

IUPAC Name

(2S,3S,4S,5R,6S)-6-{2,6-dihydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-6-{2,6-dihydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

[H]C1(CC2=CC(O)=C(O[C@]3([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)C(O)=C2)CCC(=O)O1

InChI Identifier

InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(20)26-7)5-9(19)14(8)27-17-13(23)11(21)12(22)15(28-17)16(24)25/h4-5,7,11-13,15,17-19,21-23H,1-3H2,(H,24,25)/t7?,11-,12-,13+,15-,17+/m0/s1

InChI Key

ATYNVCXMADLPJQ-YSVLGHOVSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Alkyl glycoside
O-glycosyl compound
Phenoxy compound
Resorcinol
Phenol ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Beta-hydroxy acid
Phenol
Gamma butyrolactone
Pyran
Oxane
Benzenoid
Dicarboxylic acid or derivatives
Fatty acyl
Monosaccharide
Monocyclic benzene moiety
Hydroxy acid
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Lactone
Polyol
Acetal
Organoheterocyclic compound
Carboxylic acid
Carboxylic acid derivative
Oxacycle
Carbonyl group
Hydrocarbon derivative
Organic oxide
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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
logP	0.06	ALOGPS
logP	-0.64	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	2.9	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	183.21 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	87.3 m³·mol⁻¹	ChemAxon
Polarizability	37.1 Å³	ChemAxon
Number of Rings	3	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

HMDB0059986

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB093658

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

124202074

PDB ID

Not Available

ChEBI ID

88692

Good Scents ID

Not Available

References

General References

Showing NP-Card for 5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide (NP0339548)

MOL for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)

3D MOL for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)

3D SDF for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)

3D-SDF for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)

PDB for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)

3D PDB for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)

SMILES for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)

INCHI for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)

Structure for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)

3D Structure for NP0339548 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 4'-glucuronide)