NP-MRD: Showing NP-Card for methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate (NP0252257)

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Record Information

Version

2.0

Created at

2022-09-07 15:42:47 UTC

Updated at

2022-09-07 15:42:47 UTC

NP-MRD ID

NP0252257

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate

Description

Methyl (2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage. methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate is found in Streptomyces peucetius. Based on a literature review very few articles have been published on methyl (2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072217422D          

 41 45  0  0  1  0            999 V2000
    6.8104    0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9979   -0.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
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 33 39  1  0  0  0  0
 39 40  1  0  0  0  0
 21 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072217422D          

 41 45  0  0  1  0            999 V2000
    6.8104    0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -0.4125    0.0000 C   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
    0.0000    0.8250    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
    0.7145    2.0625    0.0000 O   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
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  1  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  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 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
  3 26  1  0  0  0  0
 26 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
 22 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  1  0  0  0  0
 21 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0252257

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@@]1(O)CC(OC2OC(C)C(O)C(O)C2O)C2=C(O)C3=C(C(O)=C2C1C(=O)OC)C(=O)C1=CC=CC(O)=C1C3=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H30O13/c1-4-28(38)8-12(41-27-25(36)24(35)19(30)9(2)40-27)14-15(18(28)26(37)39-3)23(34)16-17(22(14)33)21(32)13-10(20(16)31)6-5-7-11(13)29/h5-7,9,12,18-19,24-25,27,29-30,33-36,38H,4,8H2,1-3H3/t9?,12?,18?,19?,24?,25?,27?,28-/m1/s1

> <INCHI_KEY>
CDLQSGBEXZDMOA-ROPZWIBISA-N

> <FORMULA>
C28H30O13

> <MOLECULAR_WEIGHT>
574.535

> <EXACT_MASS>
574.168641026

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
57.16732548610311

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

> <JCHEM_LOGP>
2.3236601293333328

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.399330508796215

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.747394854639677

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2330598146220515

> <JCHEM_POLAR_SURFACE_AREA>
220.50999999999996

> <JCHEM_REFRACTIVITY>
138.60409999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1H-tetracene-1-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      12.713   1.715   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.186   0.267   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      11.196  -1.447   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.669   6.160   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      12.003   6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      14.670   6.930   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      14.670   3.850   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   26                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   18                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   16                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    8   17                                                  
CONECT   17   16                                                            
CONECT   18    6   19   25                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   40                                                  
CONECT   22   21   23   31                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   18   26                                                  
CONECT   26   25    3   27                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29                                                            
CONECT   31   22   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   39                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   33   40                                                  
CONECT   40   39   21   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

View in JSmol

Synonyms

Value	Source
Methyl (2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid	Generator

Chemical Formula

C₂₈H₃₀O₁₃

Average Mass

574.5350 Da

Monoisotopic Mass

574.16864 Da

IUPAC Name

methyl (2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Traditional Name

methyl (2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1H-tetracene-1-carboxylate

CAS Registry Number

Not Available

SMILES

CC[C@@]1(O)CC(OC2OC(C)C(O)C(O)C2O)C2=C(O)C3=C(C(O)=C2C1C(=O)OC)C(=O)C1=CC=CC(O)=C1C3=O

InChI Identifier

InChI=1S/C28H30O13/c1-4-28(38)8-12(41-27-25(36)24(35)19(30)9(2)40-27)14-15(18(28)26(37)39-3)23(34)16-17(22(14)33)21(32)13-10(20(16)31)6-5-7-11(13)29/h5-7,9,12,18-19,24-25,27,29-30,33-36,38H,4,8H2,1-3H3/t9?,12?,18?,19?,24?,25?,27?,28-/m1/s1

InChI Key

CDLQSGBEXZDMOA-ROPZWIBISA-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
Streptomyces peucetius	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Anthracyclines

Sub Class

Not Available

Direct Parent

Anthracyclines

Alternative Parents

Substituents

Anthracyclinone-skeleton
Anthracycline
Tetracenequinone
Anthracene carboxylic acid or derivatives
Anthracene carboxylic acid
1,4-anthraquinone
9,10-anthraquinone
Anthracene
1-naphthalenecarboxylic acid or derivatives
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Tetralin
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Oxane
Monosaccharide
Vinylogous acid
Methyl ester
Tertiary alcohol
Secondary alcohol
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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
logP	2.32	ChemAxon
pKa (Strongest Acidic)	7.75	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	220.51 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	138.6 m³·mol⁻¹	ChemAxon
Polarizability	57.17 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

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

162820889

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate (NP0252257)

MOL for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)

3D MOL for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)

3D SDF for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)

3D-SDF for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)

PDB for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)

3D PDB for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)

SMILES for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)

INCHI for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)

Structure for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)

3D Structure for NP0252257 (methyl (2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-1h-tetracene-1-carboxylate)