NP-MRD: Showing NP-Card for 5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide (NP0339546)

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Record Information

Version

2.0

Created at

2024-09-11 22:22:55 UTC

Updated at

2024-09-11 22:22:55 UTC

NP-MRD ID

NP0339546

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-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-3'-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
    2.7982    5.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531    4.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    8.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    4.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078   10.9527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1067   10.5402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3222   10.5402    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1067    9.7152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8212    9.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    9.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    6.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631    4.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    8.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078   11.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212   10.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   10.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    8.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    9.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331    5.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    9.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    9.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007    6.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067   11.3652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212   10.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   10.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078   10.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    8.8902    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
 11  8  2  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  1  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 12 21  1  6  0  0  0
 13 22  1  1  0  0  0
 14 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  9  1  0  0  0  0
 27 17  1  0  0  0  0
 28 15  1  0  0  0  0
 28 17  1  0  0  0  0
 29  7  1  0  0  0  0
 12 30  1  1  0  0  0
 13 31  1  6  0  0  0
 14 32  1  6  0  0  0
 15 33  1  1  0  0  0
 34 17  1  0  0  0  0
M  END


  Mrv1652303102016572D          

 34 36  0  0  1  0            999 V2000
    2.7982    5.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531    4.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    8.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    4.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078   10.9527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1067   10.5402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3222   10.5402    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1067    9.7152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8212    9.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    9.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    6.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631    4.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    8.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078   11.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212   10.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   10.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    8.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    9.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331    5.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    9.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    9.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007    6.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067   11.3652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212   10.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   10.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078   10.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    8.8902    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
 11  8  2  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  1  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 12 21  1  6  0  0  0
 13 22  1  1  0  0  0
 14 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  9  1  0  0  0  0
 27 17  1  0  0  0  0
 28 15  1  0  0  0  0
 28 17  1  0  0  0  0
 29  7  1  0  0  0  0
 12 30  1  1  0  0  0
 13 31  1  6  0  0  0
 14 32  1  6  0  0  0
 15 33  1  1  0  0  0
 34 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0339546

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C1(CC2=CC(O)=C(O)C(OC3([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)=C2)CCC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1

> <INCHI_KEY>
VQHXMQYHVVQQFP-CXWHQSFFSA-N

> <FORMULA>
C17H20O11

> <MOLECULAR_WEIGHT>
400.3341

> <EXACT_MASS>
400.100561482

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
36.63303683757863

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.01

> <JCHEM_LOGP>
-0.6360368223333333

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.417198936232673

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9850027129023915

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6868279849763885

> <JCHEM_POLAR_SURFACE_AREA>
183.21

> <JCHEM_REFRACTIVITY>
87.3004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.79e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R)-6-{2,3-dihydroxy-5-[(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       5.223  10.300   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.699   8.835   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.469  12.745   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.802  12.745   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.136  15.055   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.136  13.515   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.469  11.205   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.468  13.515   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.802  15.825   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.239   8.835   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.468  15.055   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.135  20.445   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.199  19.675   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.468  19.675   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.199  18.135   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.533  17.365   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.468  18.135   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.135  12.745   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       8.144   7.589   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.135  15.825   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.135  21.985   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.533  20.445   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       3.802  20.445   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -1.533  15.825   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -2.866  18.135   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       7.715  10.300   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       3.802  17.365   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.135  17.365   0.000  0.00  0.00           O+0
HETATM   29  H   UNK     0       7.841  11.904   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0      -0.199  21.215   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0      -1.533  18.905   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0       3.802  18.905   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0       1.135  18.905   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0       2.468  16.595   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   11   18                                                  
CONECT    9    5   11   27                                                  
CONECT   10    2   19   26                                                  
CONECT   11    8    9   20                                                  
CONECT   12   13   14   21   30                                             
CONECT   13   12   15   22   31                                             
CONECT   14   12   17   23   32                                             
CONECT   15   13   16   28   33                                             
CONECT   16   15   24   25                                                  
CONECT   17   14   27   28   34                                             
CONECT   18    8                                                            
CONECT   19   10                                                            
CONECT   20   11                                                            
CONECT   21   12                                                            
CONECT   22   13                                                            
CONECT   23   14                                                            
CONECT   24   16                                                            
CONECT   25   16                                                            
CONECT   26    7   10                                                       
CONECT   27    9   17                                                       
CONECT   28   15   17                                                       
CONECT   29    7                                                            
CONECT   30   12                                                            
CONECT   31   13                                                            
CONECT   32   14                                                            
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-3'-O-glucuronide	Generator
5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone-3'-O-glucuronide	Generator
(2S,3S,4S,5R)-6-{2,3-dihydroxy-5-[(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)-6-{2,3-dihydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R)-6-{2,3-dihydroxy-5-[(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(OC3([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)=C2)CCC(=O)O1

InChI Identifier

InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1

InChI Key

VQHXMQYHVVQQFP-CXWHQSFFSA-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
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
O-glycosyl compound
Phenoxy compound
Phenol ether
Catechol
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Beta-hydroxy acid
Benzenoid
Gamma butyrolactone
Monocyclic benzene moiety
Pyran
Hydroxy acid
Monosaccharide
Oxane
Dicarboxylic acid or derivatives
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Lactone
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Carboxylic acid
Carboxylic acid derivative
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	0.01	ALOGPS
logP	-0.64	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	2.99	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	36.63 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

HMDB0059984

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB093656

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

124202080

PDB ID

Not Available

ChEBI ID

88702

Good Scents ID

Not Available

References

General References

Showing NP-Card for 5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide (NP0339546)

MOL for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)

3D MOL for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)

3D SDF for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)

3D-SDF for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)

PDB for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)

3D PDB for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)

SMILES for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)

INCHI for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)

Structure for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)

3D Structure for NP0339546 (5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone 3'-glucuronide)