NP-MRD: Showing NP-Card for Estriol 3-sulfate 16-glucuronide (NP0090909)

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Record Information

Version

2.0

Created at

2022-05-11 18:25:44 UTC

Updated at

2022-05-11 18:25:44 UTC

NP-MRD ID

NP0090909

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Estriol 3-sulfate 16-glucuronide

Description

Estriol 3-sulfate 16-glucuronide belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Estriol 3-sulfate 16-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). Estriol sulfate glucuronide, or estriol 3-sulfate 16α-glucuronide, is an endogenous, naturally occurring diconjugated metabolite of estriol. It occurs in high concentrations during pregnancy along with estriol sulfate and estriol glucuronide, and was a component of the early pharmaceutical estrogens Progynon and Emmenin. It is generated in the liver from estriol sulfate by UDP-glucuronyltransferase and is eventually excreted in the urine by the kidneys.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02241200522D          

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M  END

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  Mrv0541 02241200522D          

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  4 29  1  0  0  0  0
  4 35  1  0  0  0  0
 31  5  1  1  0  0  0
  6 33  1  0  0  0  0
 34  7  1  6  0  0  0
 36  8  1  1  0  0  0
  9 37  1  0  0  0  0
 10 37  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 38  1  6  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 16 39  1  1  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 25  1  0  0  0  0
 18 40  1  6  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 27 30  1  0  0  0  0
 28 32  2  0  0  0  0
 29 31  1  0  0  0  0
 30 33  2  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
 34 36  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0090909

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3

> <INCHI_IDENTIFIER>
InChI=1S/C24H32O12S/c1-24-7-6-13-12-5-3-11(36-37(31,32)33)8-10(12)2-4-14(13)15(24)9-16(21(24)28)34-23-19(27)17(25)18(26)20(35-23)22(29)30/h3,5,8,13-21,23,25-28H,2,4,6-7,9H2,1H3,(H,29,30)(H,31,32,33)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23?,24+/m1/s1

> <INCHI_KEY>
ATNWFRGUDKUYOG-SUPAOECSSA-N

> <FORMULA>
C24H32O12S

> <MOLECULAR_WEIGHT>
544.569

> <EXACT_MASS>
544.161447178

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
54.161200301858145

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,13R,14R,15S)-14-hydroxy-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-13-yl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.01

> <JCHEM_LOGP>
-0.9193667850010312

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.4572795845089277

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.746981599743049

> <JCHEM_PKA_STRONGEST_BASIC>
-3.346062051897775

> <JCHEM_POLAR_SURFACE_AREA>
200.27999999999997

> <JCHEM_REFRACTIVITY>
123.53869999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,13R,14R,15S)-14-hydroxy-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-13-yl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  S   UNK     0      23.874 -11.868   0.000  0.00  0.00           S+0
HETATM    2  O   UNK     0      37.406  -8.713   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      35.445  -6.010   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      39.716 -10.047   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      35.866 -11.380   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      25.204 -12.643   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      37.406 -14.048   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      40.486 -14.048   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      42.796 -10.047   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      42.796 -12.714   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      22.543 -11.093   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      23.098 -13.199   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      24.649 -10.538   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      33.510  -7.943   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      33.510  -9.483   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      32.176 -10.253   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      34.967  -7.474   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      30.842  -9.483   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      34.967  -9.952   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      32.176  -7.173   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      35.866  -8.713   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      30.842  -7.943   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      32.201 -11.857   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      33.510  -6.403   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      29.441 -10.263   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      30.818 -12.670   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      29.428 -11.868   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      28.013  -9.395   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      38.176 -10.047   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      27.988 -12.714   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      37.406 -11.380   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      26.554 -10.208   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      26.541 -11.879   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      38.176 -12.714   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      40.486 -11.380   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      39.716 -12.714   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      42.026 -11.380   0.000  0.00  0.00           C+0
HETATM   38  H   UNK     0      33.648 -10.784   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      32.185  -8.589   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0      30.949 -10.753   0.000  0.00  0.00           H+0
CONECT    1    6   11   12   13                                             
CONECT    2   21   29                                                       
CONECT    3   17                                                            
CONECT    4   29   35                                                       
CONECT    5   31                                                            
CONECT    6    1   33                                                       
CONECT    7   34                                                            
CONECT    8   36                                                            
CONECT    9   37                                                            
CONECT   10   37                                                            
CONECT   11    1                                                            
CONECT   12    1                                                            
CONECT   13    1                                                            
CONECT   14   15   17   20   24                                             
CONECT   15   14   16   19   38                                             
CONECT   16   15   18   23   39                                             
CONECT   17    3   14   21                                                  
CONECT   18   16   22   25   40                                             
CONECT   19   15   21                                                       
CONECT   20   14   22                                                       
CONECT   21    2   17   19                                                  
CONECT   22   18   20                                                       
CONECT   23   16   26                                                       
CONECT   24   14                                                            
CONECT   25   18   27   28                                                  
CONECT   26   23   27                                                       
CONECT   27   25   26   30                                                  
CONECT   28   25   32                                                       
CONECT   29    2    4   31                                                  
CONECT   30   27   33                                                       
CONECT   31    5   29   34                                                  
CONECT   32   28   33                                                       
CONECT   33    6   30   32                                                  
CONECT   34    7   31   36                                                  
CONECT   35    4   36   37                                                  
CONECT   36    8   34   35                                                  
CONECT   37    9   10   35                                                  
CONECT   38   15                                                            
CONECT   39   16                                                            
CONECT   40   18                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Value	Source
Estriol 3-sulfuric acid 16-glucuronide	Generator
Estriol 3-sulphate 16-glucuronide	Generator
Estriol 3-sulphuric acid 16-glucuronide	Generator
(16alpha,17beta)-17-Hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16-yl-beta-D-glucopyranosiduronic acid	HMDB
(16alpha,17beta)-17-Hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16-yl-beta-delta-glucopyranosiduronic acid	HMDB
Estriol 3-sulfate 16-glucuronoside	HMDB
Estriol 3-sulfate 16alpha-glucuronide	HMDB
Estriol 3-sulfate 16alpha-glucuronoside	HMDB
Estriol 3-sulphate 16-glucuronoside	HMDB
Estriol 3-sulphate 16alpha-glucuronide	HMDB
Estriol 3-sulphate 16alpha-glucuronoside	HMDB
Estriol 3-sulfate 16-glucuronide, (16beta,17beta)-isomer	HMDB
Estriol-3-sulfate 16-glucosiduronate, (16alpha)-isomer	HMDB
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-{[(1S,10R,11S,13R,14R,15S)-14-hydroxy-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-13-yl]oxy}oxane-2-carboxylate	Generator
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-{[(1S,10R,11S,13R,14R,15S)-14-hydroxy-15-methyl-5-(sulphooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-13-yl]oxy}oxane-2-carboxylate	Generator
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-{[(1S,10R,11S,13R,14R,15S)-14-hydroxy-15-methyl-5-(sulphooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-13-yl]oxy}oxane-2-carboxylic acid	Generator
Estriol 3-sulfate 16-glucuronide	MeSH

Chemical Formula

C₂₄H₃₂O₁₂S

Average Mass

544.5690 Da

Monoisotopic Mass

544.16145 Da

IUPAC Name

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,13R,14R,15S)-14-hydroxy-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-13-yl]oxy}oxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,13R,14R,15S)-14-hydroxy-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-13-yl]oxy}oxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3

InChI Identifier

InChI=1S/C24H32O12S/c1-24-7-6-13-12-5-3-11(36-37(31,32)33)8-10(12)2-4-14(13)15(24)9-16(21(24)28)34-23-19(27)17(25)18(26)20(35-23)22(29)30/h3,5,8,13-21,23,25-28H,2,4,6-7,9H2,1H3,(H,29,30)(H,31,32,33)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23?,24+/m1/s1

InChI Key

ATNWFRGUDKUYOG-SUPAOECSSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroidal glycosides

Alternative Parents

Substituents

Steroidal glycoside
Sulfated steroid skeleton
Estrane-skeleton
Hydroxysteroid
17-hydroxysteroid
1-o-glucuronide
O-glucuronide
Phenanthrene
Glucuronic acid or derivatives
Glycosyl compound
O-glycosyl compound
Arylsulfate
Tetralin
Beta-hydroxy acid
Hydroxy acid
Monosaccharide
Benzenoid
Sulfuric acid ester
Sulfate-ester
Oxane
Sulfuric acid monoester
Pyran
Cyclic alcohol
Organic sulfuric acid or derivatives
Secondary alcohol
Polyol
Carboxylic acid
Carboxylic acid derivative
Oxacycle
Acetal
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carbonyl group
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	-0.92	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	-1.7	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	200.28 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	123.54 m³·mol⁻¹	ChemAxon
Polarizability	54.16 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0010356

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB027508

KNApSAcK ID

Not Available

Chemspider ID

133283

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Estriol sulfate glucuronide

METLIN ID

Not Available

PubChem Compound

151223

PDB ID

Not Available

ChEBI ID

88727

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Estriol 3-sulfate 16-glucuronide (NP0090909)

MOL for NP0090909 (Estriol 3-sulfate 16-glucuronide)

3D MOL for NP0090909 (Estriol 3-sulfate 16-glucuronide)

3D SDF for NP0090909 (Estriol 3-sulfate 16-glucuronide)

3D-SDF for NP0090909 (Estriol 3-sulfate 16-glucuronide)

PDB for NP0090909 (Estriol 3-sulfate 16-glucuronide)

3D PDB for NP0090909 (Estriol 3-sulfate 16-glucuronide)

SMILES for NP0090909 (Estriol 3-sulfate 16-glucuronide)

INCHI for NP0090909 (Estriol 3-sulfate 16-glucuronide)

Structure for NP0090909 (Estriol 3-sulfate 16-glucuronide)

3D Structure for NP0090909 (Estriol 3-sulfate 16-glucuronide)