NP-MRD: Showing NP-Card for 3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate (NP0200205)

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Record Information

Version

2.0

Created at

2022-09-04 18:59:52 UTC

Updated at

2022-09-04 18:59:52 UTC

NP-MRD ID

NP0200205

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate

Description

3,4,5,11,13,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]Tricosa-1(23),2,4,6,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate, also known as 2-O-galloyl-4,6-(S)-hexahydroxydiphenol-beta-D-glucose, belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. 3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate is found in Eucalyptus consideniana, Quercus phillyraeoides and Tamarix nilotica. 3,4,5,11,13,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]Tricosa-1(23),2,4,6,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652308231916562D          

 45 49  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652308231916562D          

 45 49  0  0  0  0            999 V2000
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   -0.1240   -1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4225   -3.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4846   -1.2118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0169   -0.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8465   -5.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7195   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2517   -2.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346   -4.3559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9548   -3.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2308   -3.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2896   -3.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384   -0.8020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598    0.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773   -4.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725   -0.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6222   -0.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6419   -0.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157   -2.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0074   -2.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
 19 14  2  0  0  0  0
 19 17  1  0  0  0  0
 20 15  2  0  0  0  0
 20 18  1  0  0  0  0
 22 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
 26  8  1  0  0  0  0
 27 23  1  0  0  0  0
 28  9  1  0  0  0  0
 29 10  1  0  0  0  0
 30 11  1  0  0  0  0
 31 12  1  0  0  0  0
 32 16  1  0  0  0  0
 33 17  1  0  0  0  0
 34 18  1  0  0  0  0
 35 19  1  0  0  0  0
 36 20  1  0  0  0  0
 37 21  1  0  0  0  0
 38 24  2  0  0  0  0
 39 25  2  0  0  0  0
 40 26  2  0  0  0  0
 41 27  1  0  0  0  0
 42  5  1  0  0  0  0
 42 25  1  0  0  0  0
 43 13  1  0  0  0  0
 43 27  1  0  0  0  0
 44 22  1  0  0  0  0
 44 26  1  0  0  0  0
 45 23  1  0  0  0  0
 45 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0200205

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)22-13(43-27(23)41)5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2

> <INCHI_KEY>
MXXKTYINRPDXEE-UHFFFAOYSA-N

> <FORMULA>
C27H22O18

> <MOLECULAR_WEIGHT>
634.455

> <EXACT_MASS>
634.080613868

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
57.27332987697845

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
1.67

> <JCHEM_LOGP>
1.095251979

> <ALOGPS_LOGS>
-2.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.929153666574864

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.4118833771377535

> <JCHEM_PKA_STRONGEST_BASIC>
-5.548951419720102

> <JCHEM_POLAR_SURFACE_AREA>
310.66

> <JCHEM_REFRACTIVITY>
142.2957

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.91e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-AUG-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-AUG-19         0                                  
HETATM    1  C   UNK     0      -4.740  -5.118   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.731  -2.642   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.591  -1.304   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.738  -7.552   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.417  -1.092   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.521  -3.594   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.381  -2.256   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.665  -6.014   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.170  -5.690   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.161  -3.214   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.021  -1.877   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.107  -8.258   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.409  -2.256   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.600  -3.781   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.960  -5.181   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.380  -4.738   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.240  -3.401   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.402  -7.425   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.030  -4.353   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.329  -5.887   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.760  -4.353   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.189  -3.781   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.451  -3.401   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.091  -3.021   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.372  -1.092   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.125  -6.014   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.231  -1.877   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -6.389  -7.215   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -8.371  -2.262   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      11.232  -0.925   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       7.180  -9.796   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -8.810  -5.311   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      11.670  -3.973   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       9.771  -8.131   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       9.249  -5.877   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       9.764  -6.446   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.541  -5.877   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -2.872  -1.497   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       7.205   0.203   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       3.691  -7.491   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -1.442  -0.925   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       4.895  -0.659   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       1.198  -1.304   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       2.829  -5.181   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -1.880  -3.973   0.000  0.00  0.00           O+0
CONECT    1    6    9                                                       
CONECT    2    6   10                                                       
CONECT    3    7   11                                                       
CONECT    4    8   12                                                       
CONECT    5   13   42                                                       
CONECT    6    1    2   24                                                  
CONECT    7    3   14   25                                                  
CONECT    8    4   15   26                                                  
CONECT    9    1   16   28                                                  
CONECT   10    2   16   29                                                  
CONECT   11    3   17   30                                                  
CONECT   12    4   18   31                                                  
CONECT   13    5   22   43                                                  
CONECT   14    7   15   19                                                  
CONECT   15    8   14   20                                                  
CONECT   16    9   10   32                                                  
CONECT   17   11   19   33                                                  
CONECT   18   12   20   34                                                  
CONECT   19   14   17   35                                                  
CONECT   20   15   18   36                                                  
CONECT   21   22   23   37                                                  
CONECT   22   13   21   44                                                  
CONECT   23   21   27   45                                                  
CONECT   24    6   38   45                                                  
CONECT   25    7   39   42                                                  
CONECT   26    8   40   44                                                  
CONECT   27   23   41   43                                                  
CONECT   28    9                                                            
CONECT   29   10                                                            
CONECT   30   11                                                            
CONECT   31   12                                                            
CONECT   32   16                                                            
CONECT   33   17                                                            
CONECT   34   18                                                            
CONECT   35   19                                                            
CONECT   36   20                                                            
CONECT   37   21                                                            
CONECT   38   24                                                            
CONECT   39   25                                                            
CONECT   40   26                                                            
CONECT   41   27                                                            
CONECT   42    5   25                                                       
CONECT   43   13   27                                                       
CONECT   44   22   26                                                       
CONECT   45   23   24                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END

View in JSmol

Synonyms

Value	Source
3,4,5,11,13,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoic acid	Generator
2-O-Galloyl-4,6-(S)-hexahydroxydiphenol-beta-D-glucose	MeSH

Chemical Formula

C₂₇H₂₂O₁₈

Average Mass

634.4550 Da

Monoisotopic Mass

634.08061 Da

IUPAC Name

3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate

Traditional Name

3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate

CAS Registry Number

Not Available

SMILES

OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1

InChI Identifier

InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)22-13(43-27(23)41)5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2

InChI Key

MXXKTYINRPDXEE-UHFFFAOYSA-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
Eucalyptus consideniana	LOTUS Database	35616633
Quercus phillyraeoides	LOTUS Database	35616633
Tamarix nilotica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isocoumarins and derivatives

Sub Class

Not Available

Direct Parent

Isocoumarins and derivatives

Alternative Parents

Substituents

Isocoumarin
Benzopyran
2-benzopyran
Aryl ketone
Pyranone
Monocyclic benzene moiety
Pyran
Benzenoid
Heteroaromatic compound
Lactone
Ketone
Enol
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
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	1.67	ALOGPS
logP	1.1	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	7.41	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	310.66 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	142.3 m³·mol⁻¹	ChemAxon
Polarizability	57.27 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

HMDB0136071

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB092873

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

323958

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate (NP0200205)

MOL for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)

3D MOL for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)

3D SDF for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)

3D-SDF for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)

PDB for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)

3D PDB for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)

SMILES for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)

INCHI for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)

Structure for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)

3D Structure for NP0200205 (3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate)