NP-MRD: Showing NP-Card for (2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid (NP0173374)

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Record Information

Version

2.0

Created at

2022-09-03 10:29:31 UTC

Updated at

2022-09-03 10:29:31 UTC

NP-MRD ID

NP0173374

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid

Description

Lagerstannin C belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. (2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid is found in Elaeagnus umbellata. Based on a literature review very few articles have been published on Lagerstannin C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032212292D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309032212292D          

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    2.3633   -3.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -3.8453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5921   -4.6137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1074   -5.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7765   -4.7378    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2612   -4.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4762   -5.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915   -6.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6606   -5.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0446   -5.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6543   -6.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4779   -7.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0876   -7.8139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -7.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5153   -8.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0820   -6.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2958   -7.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2584   -6.1466    0.0000 C   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
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  4 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
  2 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 38 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0173374

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]([C@@H](O)C(O)=O)[C@@H]1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OC[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H22O19/c28-9-1-6(2-10(29)16(9)32)25(41)45-13-5-44-26(42)7-3-11(30)17(33)19(35)14(7)15-8(4-12(31)18(34)20(15)36)27(43)46-23(13)21(37)22(38)24(39)40/h1-4,13,21-23,28-38H,5H2,(H,39,40)/t13-,21-,22-,23-/m1/s1

> <INCHI_KEY>
HUVLESMCLUQMJM-CJENHJMQSA-N

> <FORMULA>
C27H22O19

> <MOLECULAR_WEIGHT>
650.454

> <EXACT_MASS>
650.075528488

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
54.90567632256831

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-3-[(10S,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid

> <ALOGPS_LOGP>
1.93

> <JCHEM_LOGP>
0.6180468863333334

> <ALOGPS_LOGS>
-2.31

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
7.417167211173724

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.533628232515739

> <JCHEM_PKA_STRONGEST_BASIC>
-6.053671643099531

> <JCHEM_POLAR_SURFACE_AREA>
338.73

> <JCHEM_REFRACTIVITY>
144.64329999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.17e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R)-3-[(10S,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  O   UNK     0       9.347  -9.035   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       7.879  -9.502   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       6.741  -8.465   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       7.070  -6.961   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.375  -7.779   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       9.556  -6.791   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       8.982  -5.362   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.443  -5.420   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.492  -3.756   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.009  -3.492   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.538  -2.045   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      13.056  -1.781   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.551  -0.864   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      11.080   0.582   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.034  -1.128   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.046   0.053   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.504  -2.575   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.987  -2.839   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.806  -3.827   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.360  -3.298   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.095  -1.781   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.649  -1.251   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.276  -0.793   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.012   0.724   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.723  -1.322   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       7.098   0.171   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.458  -4.286   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       7.997  -4.221   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.411  -5.996   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.399  -7.178   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.839  -8.612   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       5.800  -9.815   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       3.316  -8.844   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.354  -7.641   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.756 -10.278   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       3.717 -11.481   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.233 -10.510   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       7.550 -11.007   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.688 -12.044   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.359 -13.548   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       9.497 -14.586   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       6.891 -14.015   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       6.562 -15.520   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       5.753 -12.978   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       4.286 -13.445   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       6.082 -11.474   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   38                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   30                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    9   18                                                  
CONECT   18   17   19   25                                                  
CONECT   19   18   20   27                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   18   26                                                  
CONECT   26   25                                                            
CONECT   27   19   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29    4   31                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38    2   39   46                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   38                                                       
MASTER        0    0    0    0    0    0    0    0   46    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₂₂O₁₉

Average Mass

650.4540 Da

Monoisotopic Mass

650.07553 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

O[C@H]([C@@H](O)C(O)=O)[C@@H]1OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2C(=O)OC[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1

InChI Identifier

InChI=1S/C27H22O19/c28-9-1-6(2-10(29)16(9)32)25(41)45-13-5-44-26(42)7-3-11(30)17(33)19(35)14(7)15-8(4-12(31)18(34)20(15)36)27(43)46-23(13)21(37)22(38)24(39)40/h1-4,13,21-23,28-38H,5H2,(H,39,40)/t13-,21-,22-,23-/m1/s1

InChI Key

HUVLESMCLUQMJM-CJENHJMQSA-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
Elaeagnus umbellata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Hydrolyzable tannins

Direct Parent

Hydrolyzable tannins

Alternative Parents

Substituents

Hydrolyzable tannin
Galloyl ester
Gallic acid or derivatives
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
Benzoate ester
Benzenetriol
Benzoic acid or derivatives
Pyrogallol derivative
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Beta-hydroxy acid
Sugar acid
Phenol
Alpha-hydroxy acid
Monocyclic benzene moiety
Benzenoid
Hydroxy acid
Monosaccharide
Lactone
Carboxylic acid ester
1,2-diol
Secondary alcohol
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Polyol
Carboxylic acid
Monocarboxylic acid or derivatives
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen 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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00053416

Chemspider ID

8569926

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10394485

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-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid (NP0173374)

MOL for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)

3D MOL for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)

3D SDF for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)

3D-SDF for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)

PDB for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)

3D PDB for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)

SMILES for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)

INCHI for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)

Structure for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)

3D Structure for NP0173374 ((2r,3r)-3-[(10s,11r)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid)