NP-MRD: Showing NP-Card for 3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid (NP0236249)

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Record Information

Version

2.0

Created at

2022-09-06 19:05:55 UTC

Updated at

2022-09-06 19:05:55 UTC

NP-MRD ID

NP0236249

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid

Description

Kwanzoquinone D belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. 3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid is found in Hemerocallis fulva. Based on a literature review very few articles have been published on Kwanzoquinone D.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062221052D          

 37 40  0  0  1  0            999 V2000
   -5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724   -2.0625    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
   -1.4289   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 12 13  1  1  0  0  0
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 12 21  1  0  0  0  0
 21 22  1  6  0  0  0
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 35 36  1  0  0  0  0
  4 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END

     RDKit          3D

 59 62  0  0  0  0  0  0  0  0999 V2000
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    4.1270   -0.9362   -0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7695    2.0504   -1.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5406    0.5424   -1.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4343    4.1843   -1.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2576    3.3186   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752    3.5260   -0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2334    1.1190   -0.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449    1.3844    1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4335    0.4093   -1.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  8  2  1  0
 25 10  1  0
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 36  4  1  0
  1 38  1  0
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  7 42  1  0
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 13 45  1  0
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 31 56  1  0
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 34 59  1  0
M  END


  Mrv1652309062221052D          

 37 40  0  0  1  0            999 V2000
   -5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0236249

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC2=C(C(O)=C1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C1=C(O)C=CC=C1C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H22O13/c1-8-5-10-16(19(31)15-9(17(10)29)3-2-4-11(15)25)20(32)23(8)37-24-22(34)21(33)18(30)12(36-24)7-35-14(28)6-13(26)27/h2-5,12,18,21-22,24-25,30,32-34H,6-7H2,1H3,(H,26,27)/t12-,18-,21+,22-,24+/m1/s1

> <INCHI_KEY>
BWQJNUIZXDNIAY-XDMDMBRJSA-N

> <FORMULA>
C24H22O13

> <MOLECULAR_WEIGHT>
518.427

> <EXACT_MASS>
518.106040768

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
48.60324683965236

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[(2R,3S,4S,5R,6S)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid

> <JCHEM_LOGP>
1.8867172619999997

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.077979600507584

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.36381735278962

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649103047704349

> <JCHEM_POLAR_SURFACE_AREA>
217.34999999999997

> <JCHEM_REFRACTIVITY>
119.77489999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2R,3S,4S,5R,6S)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -9.336  -8.470   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.002  -9.240   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.002 -10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668 -11.550   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335 -10.780   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -4.001  -8.470   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -6.668  -8.470   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -5.335  -6.160   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -2.667  -6.160   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.000  -6.160   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.334  -8.470   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.667  -6.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.335  -6.160   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.001  -8.470   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.334  -3.850   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -4.001  -3.850   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -6.668  -3.850   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.667 -10.780   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.001 -13.090   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.334 -13.090   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -2.667 -15.400   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.001 -16.170   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.335 -15.400   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -6.668 -13.090   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -8.002 -13.860   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   36                                                  
CONECT    5    4    6   27                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    2    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   25                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   12   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   10   26                                                  
CONECT   26   25                                                            
CONECT   27    5   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   35                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   29   36                                                  
CONECT   36   35    4   37                                                  
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₂₂O₁₃

Average Mass

518.4270 Da

Monoisotopic Mass

518.10604 Da

IUPAC Name

3-{[(2R,3S,4S,5R,6S)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid

Traditional Name

3-{[(2R,3S,4S,5R,6S)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid

CAS Registry Number

Not Available

SMILES

CC1=CC2=C(C(O)=C1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C1=C(O)C=CC=C1C2=O

InChI Identifier

InChI=1S/C24H22O13/c1-8-5-10-16(19(31)15-9(17(10)29)3-2-4-11(15)25)20(32)23(8)37-24-22(34)21(33)18(30)12(36-24)7-35-14(28)6-13(26)27/h2-5,12,18,21-22,24-25,30,32-34H,6-7H2,1H3,(H,26,27)/t12-,18-,21+,22-,24+/m1/s1

InChI Key

BWQJNUIZXDNIAY-XDMDMBRJSA-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
Hemerocallis fulva	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

9,10-anthraquinone
Anthraquinone
Phenolic glycoside
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Alkyl glycoside
Glycosyl compound
O-glycosyl compound
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monosaccharide
Fatty acyl
Dicarboxylic acid or derivatives
Oxane
1,3-dicarbonyl compound
Vinylogous acid
Ketone
Secondary alcohol
Carboxylic acid ester
Acetal
Carboxylic acid derivative
Oxacycle
Carboxylic acid
Organoheterocyclic compound
Polyol
Carbonyl group
Alcohol
Aldehyde
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen 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	1.89	ChemAxon
pKa (Strongest Acidic)	3.36	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	217.35 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	119.77 m³·mol⁻¹	ChemAxon
Polarizability	48.6 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

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

9093594

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10918342

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid (NP0236249)

MOL for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)

3D MOL for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)

3D SDF for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)

3D-SDF for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)

PDB for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)

3D PDB for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)

SMILES for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)

INCHI for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)

Structure for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)

3D Structure for NP0236249 (3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid)