NP-MRD: Showing NP-Card for methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate (NP0271901)

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Record Information

Version

2.0

Created at

2022-09-08 18:20:10 UTC

Updated at

2022-09-08 18:20:11 UTC

NP-MRD ID

NP0271901

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate

Description

Methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate 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. methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate is found in Cytospora eugeniae. Based on a literature review very few articles have been published on methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082220202D          

 42 47  0  0  0  0            999 V2000
   -1.1926   -5.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3802   -5.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980   -6.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6283   -6.6762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4323   -6.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936   -7.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3895   -8.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0735   -8.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3607   -7.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  9 10  2  0  0  0  0
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 40 41  2  0  0  0  0
 15 41  1  0  0  0  0
 41 42  1  0  0  0  0
  5 42  1  0  0  0  0
M  END

     RDKit          3D

 66 71  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309082220202D          

 42 47  0  0  0  0            999 V2000
   -1.1926   -5.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3802   -5.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1447   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   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   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  0  0  0  0
 26 38  1  0  0  0  0
 38 39  2  0  0  0  0
 19 40  1  0  0  0  0
 40 41  2  0  0  0  0
 15 41  1  0  0  0  0
 41 42  1  0  0  0  0
  5 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0271901

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1(CC(=O)C2=C(O)C=C(CC3=CC=C(O)C4=C3C(=O)C3=CC(C)=CC(O)=C3C4=O)C=C2O1)C1CCC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C31H24O11/c1-13-7-16-25(18(33)8-13)29(38)27-17(32)4-3-15(24(27)28(16)37)9-14-10-19(34)26-20(35)12-31(30(39)40-2,42-21(26)11-14)22-5-6-23(36)41-22/h3-4,7-8,10-11,22,32-34H,5-6,9,12H2,1-2H3

> <INCHI_KEY>
SEQLNRKXRTZQBH-UHFFFAOYSA-N

> <FORMULA>
C31H24O11

> <MOLECULAR_WEIGHT>
572.522

> <EXACT_MASS>
572.131861593

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
54.92377866668353

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate

> <JCHEM_LOGP>
5.8511285536666655

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.33315098224997

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.843860130973412

> <JCHEM_PKA_STRONGEST_BASIC>
-4.98884005476891

> <JCHEM_POLAR_SURFACE_AREA>
173.73

> <JCHEM_REFRACTIVITY>
145.45139999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3H-1-benzopyran-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.226  -9.568   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.710  -9.835   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.183 -11.283   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.173 -12.462   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.807 -12.997   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.668 -14.274   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.720 -15.487   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.727 -14.961   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.004 -15.822   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -0.673 -13.422   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.002 -16.940   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.002 -18.480   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      10.669 -12.320   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      14.670 -16.170   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      13.337 -16.940   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      13.337 -18.480   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.669 -16.940   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      10.669 -18.480   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       2.667 -12.320   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   12   42                                             
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    6                                                       
CONECT   12    5   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   41                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   40                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   38                                                  
CONECT   27   26   21   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   37                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   30   38                                                  
CONECT   38   37   26   39                                                  
CONECT   39   38                                                            
CONECT   40   19   41                                                       
CONECT   41   40   15   42                                                  
CONECT   42   41    5                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   94    0
END

View in JSmol

Synonyms

Value	Source
Methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid	Generator

Chemical Formula

C₃₁H₂₄O₁₁

Average Mass

572.5220 Da

Monoisotopic Mass

572.13186 Da

IUPAC Name

methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Traditional Name

methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3H-1-benzopyran-2-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1(CC(=O)C2=C(O)C=C(CC3=CC=C(O)C4=C3C(=O)C3=CC(C)=CC(O)=C3C4=O)C=C2O1)C1CCC(=O)O1

InChI Identifier

InChI=1S/C31H24O11/c1-13-7-16-25(18(33)8-13)29(38)27-17(32)4-3-15(24(27)28(16)37)9-14-10-19(34)26-20(35)12-31(30(39)40-2,42-21(26)11-14)22-5-6-23(36)41-22/h3-4,7-8,10-11,22,32-34H,5-6,9,12H2,1-2H3

InChI Key

SEQLNRKXRTZQBH-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
Cytospora eugeniae	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

Anthraquinone
9,10-anthraquinone
Chromone
1-benzopyran
Benzopyran
Chromane
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Gamma butyrolactone
Dicarboxylic acid or derivatives
Vinylogous acid
Methyl ester
Tetrahydrofuran
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	5.85	ChemAxon
pKa (Strongest Acidic)	7.84	ChemAxon
pKa (Strongest Basic)	-5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	173.73 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	145.45 m³·mol⁻¹	ChemAxon
Polarizability	54.92 Å³	ChemAxon
Number of Rings	6	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

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

162815052

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate (NP0271901)

MOL for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)

3D MOL for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)

3D SDF for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)

3D-SDF for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)

PDB for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)

3D PDB for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)

SMILES for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)

INCHI for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)

Structure for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)

3D Structure for NP0271901 (methyl 7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate)