NP-MRD: Showing NP-Card for (2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid (NP0163355)

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Record Information

Version

2.0

Created at

2022-09-02 21:57:46 UTC

Updated at

2022-09-02 21:57:46 UTC

NP-MRD ID

NP0163355

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid

Description

(2R,3R)-3-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Based on a literature review very few articles have been published on (2R,3R)-3-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 39  0  0  0  0  0  0  0  0999 V2000
   -0.3161    0.2306    1.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0837   -0.6047    0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708   -0.7012    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013    0.0907    0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5914    0.1172    0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329   -0.7301   -0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3724   -0.7151   -1.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2422    0.1700   -0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5640    0.1472   -1.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8146    1.0393    0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7294    1.9109    0.9403 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    0.9952    0.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338   -1.3646    0.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4505   -1.3685    0.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2383   -0.1222    0.4333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7625    0.9911    1.0966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6289   -0.3962    1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4249   -0.6218    2.3913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5014    0.1774   -1.0393 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9747   -1.0059   -1.6078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5661    1.2047   -1.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3161    2.3455   -0.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8009    0.9951   -1.7241 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5401   -1.4010   -0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    0.8049    1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -1.4475   -1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7244   -1.3843   -2.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2056    0.7955   -0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3828    2.5305    1.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333    1.6625    1.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9771   -2.1609   -0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6027   -1.7120    1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4141    1.6973    0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2633    0.5118    0.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0890   -1.2915    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0247   -1.3542    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5653    0.5027   -1.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9558   -1.0142   -1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5498    0.4757   -1.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 15  1  0
 15 16  1  1
 15 14  1  0
 14 13  1  0
 13  2  1  0
  2  1  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 15 19  1  0
 19 20  1  0
 19 21  1  0
 21 23  1  0
 21 22  2  0
 12  5  1  0
 18 36  1  0
 17 34  1  0
 17 35  1  0
 16 33  1  0
 14 31  1  0
 14 32  1  0
  3 24  1  0
  4 25  1  0
  6 26  1  0
  7 27  1  0
  9 28  1  0
 11 29  1  0
 12 30  1  0
 19 37  1  6
 20 38  1  0
 23 39  1  0
M  END


  Mrv1652309022223572D          

 23 23  0  0  1  0            999 V2000
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0164    5.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    4.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664    4.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.3625    0.0000 C   0  0  1  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    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0163355

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@@](O)(COC(=O)\C=C\C1=CC=C(O)C(O)=C1)[C@@H](O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H16O9/c15-6-14(22,12(19)13(20)21)7-23-11(18)4-2-8-1-3-9(16)10(17)5-8/h1-5,12,15-17,19,22H,6-7H2,(H,20,21)/b4-2+/t12-,14+/m0/s1

> <INCHI_KEY>
BMVREUNZOSAHNV-AAMVCFQGSA-N

> <FORMULA>
C14H16O9

> <MOLECULAR_WEIGHT>
328.273

> <EXACT_MASS>
328.079432095

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
30.465967864170103

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-3-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid

> <ALOGPS_LOGP>
0.06

> <JCHEM_LOGP>
-0.48864765033333313

> <ALOGPS_LOGS>
-2.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.208231500339124

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2766173136504144

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1482270266719867

> <JCHEM_POLAR_SURFACE_AREA>
164.75

> <JCHEM_REFRACTIVITY>
76.05739999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.67e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R)-3-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.897  10.574   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.437   7.906   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -4.977   7.906   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.001  10.010   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -5.335   9.240   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -5.335  12.320   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.667  12.320   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    5                                                       
CONECT   13    2   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17   19                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17                                                            
CONECT   19   15   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
(2R,3R)-3-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoate	Generator

Chemical Formula

C₁₄H₁₆O₉

Average Mass

328.2730 Da

Monoisotopic Mass

328.07943 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

OC[C@@](O)(COC(=O)\C=C\C1=CC=C(O)C(O)=C1)[C@@H](O)C(O)=O

InChI Identifier

InChI=1S/C14H16O9/c15-6-14(22,12(19)13(20)21)7-23-11(18)4-2-8-1-3-9(16)10(17)5-8/h1-5,12,15-17,19,22H,6-7H2,(H,20,21)/b4-2+/t12-,14+/m0/s1

InChI Key

BMVREUNZOSAHNV-AAMVCFQGSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Substituents

Cinnamic acid ester
Coumaric acid or derivatives
Styrene
Catechol
Phenol
1-hydroxy-4-unsubstituted benzenoid
Sugar acid
Fatty acid ester
1-hydroxy-2-unsubstituted benzenoid
Glycerolipid
Hydroxy acid
Monosaccharide
Dicarboxylic acid or derivatives
Alpha-hydroxy acid
Benzenoid
Fatty acyl
Monocyclic benzene moiety
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Secondary alcohol
Carboxylic acid ester
Carboxylic acid
Carboxylic acid derivative
Polyol
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Primary alcohol
Organooxygen 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

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

163194815

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid (NP0163355)

MOL for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)

3D MOL for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)

3D SDF for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)

3D-SDF for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)

PDB for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)

3D PDB for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)

SMILES for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)

INCHI for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)

Structure for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)

3D Structure for NP0163355 ((2r,3r)-3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid)