NP-MRD: Showing NP-Card for (3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione (NP0324268)

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Record Information

Version

2.0

Created at

2022-09-12 04:14:23 UTC

Updated at

2022-09-12 04:14:23 UTC

NP-MRD ID

NP0324268

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione

Description

C12405 belongs to the class of organic compounds known as angucyclines. These are polyketides with a structure based on then benz[a]anthracene skeleton, with the particularity that the central ring of the anthracene moiety is a para-quinone. C12405 is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. (3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione is found in Apis cerana. Based on a literature review very few articles have been published on C12405.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122206142D          

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M  END

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M  END


  Mrv1652309122206142D          

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   -0.1574    0.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -0.6691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2533   -0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537   -1.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7482   -1.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583   -2.0723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8284   -2.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0984   -1.4486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.9086   -1.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4486   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2588   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7989   -0.5132    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.6090   -0.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  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  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  6  0  0  0
 29 32  1  0  0  0  0
 21 32  1  0  0  0  0
  8 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
  6 36  1  0  0  0  0
 36 37  1  1  0  0  0
  4 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  2 40  1  0  0  0  0
 40 41  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0324268

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@@H](O[C@H](C)[C@H]1O)C1=CC=C2C(=O)C3=C4C(=O)C[C@](C)(O)CC4=CC=C3C(=O)C2=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C31H34O10/c1-13-19(32)8-9-23(40-13)41-22-10-21(39-14(2)27(22)34)16-6-7-18-26(28(16)35)30(37)17-5-4-15-11-31(3,38)12-20(33)24(15)25(17)29(18)36/h4-7,13-14,19,21-23,27,32,34-35,38H,8-12H2,1-3H3/t13-,14+,19-,21+,22+,23-,27+,31+/m0/s1

> <INCHI_KEY>
UHODELBZXFLXFX-UXUTXJLASA-N

> <FORMULA>
C31H34O10

> <MOLECULAR_WEIGHT>
566.603

> <EXACT_MASS>
566.215197295

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
60.46967703809853

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R)-3,8-dihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-1,2,3,4,7,12-hexahydrotetraphene-1,7,12-trione

> <JCHEM_LOGP>
2.4880340983333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.124713433401872

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.397944656809083

> <JCHEM_PKA_STRONGEST_BASIC>
-2.940513730157015

> <JCHEM_POLAR_SURFACE_AREA>
159.82

> <JCHEM_REFRACTIVITY>
146.59679999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3R)-3,8-dihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0     -16.929   1.661   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -15.920   0.497   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0     -14.408   0.788   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0     -13.400  -0.376   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0     -11.888  -0.085   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0     -10.880  -1.249   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.367  -0.958   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.359  -2.122   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.847  -1.831   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.343  -0.376   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.831  -0.085   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.822  -1.249   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.327  -2.704   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.839  -2.995   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -6.343  -4.450   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.318  -3.868   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -3.822  -5.323   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.806  -3.577   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.798  -4.741   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.714  -4.450   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.218  -2.995   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.210  -1.831   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.302  -2.122   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.310  -0.958   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.806   0.497   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.714  -0.376   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -0.294   0.788   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.227  -0.085   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.235  -1.249   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.206  -0.054   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.580  -1.998   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       2.731  -2.704   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -8.863  -3.577   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0     -10.376  -3.868   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -10.880  -5.323   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -11.384  -2.704   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0     -12.896  -2.995   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0     -13.904  -1.831   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -15.416  -2.122   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     -16.425  -0.958   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0     -17.937  -1.249   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   40                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   38                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   36                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   33                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   24                                                  
CONECT   13   12   14   16                                                  
CONECT   14   13    9   15                                                  
CONECT   15   14                                                            
CONECT   16   13   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   32                                                  
CONECT   22   21   23   26                                                  
CONECT   23   22   18   24                                                  
CONECT   24   23   12   25                                                  
CONECT   25   24                                                            
CONECT   26   22   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   29   21                                                       
CONECT   33    8   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34    6   37                                                  
CONECT   37   36                                                            
CONECT   38    4   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39    2   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₄O₁₀

Average Mass

566.6030 Da

Monoisotopic Mass

566.21520 Da

IUPAC Name

(3R)-3,8-dihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-1,2,3,4,7,12-hexahydrotetraphene-1,7,12-trione

Traditional Name

(3R)-3,8-dihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@@H](O[C@H](C)[C@H]1O)C1=CC=C2C(=O)C3=C4C(=O)C[C@](C)(O)CC4=CC=C3C(=O)C2=C1O

InChI Identifier

InChI=1S/C31H34O10/c1-13-19(32)8-9-23(40-13)41-22-10-21(39-14(2)27(22)34)16-6-7-18-26(28(16)35)30(37)17-5-4-15-11-31(3,38)12-20(33)24(15)25(17)29(18)36/h4-7,13-14,19,21-23,27,32,34-35,38H,8-12H2,1-3H3/t13-,14+,19-,21+,22+,23-,27+,31+/m0/s1

InChI Key

UHODELBZXFLXFX-UXUTXJLASA-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
Apis cerana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as angucyclines. These are polyketides with a structure based on then benz[a]anthracene skeleton, with the particularity that the central ring of the anthracene moiety is a para-quinone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Angucyclines

Sub Class

Not Available

Direct Parent

Angucyclines

Alternative Parents

Substituents

Angucycline core
9,10-anthraquinone
Anthraquinone
Phenanthrol
Anthracene
Phenanthrene
Tetralin
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Oxane
Benzenoid
Vinylogous acid
Tertiary alcohol
Ketone
Secondary alcohol
Oxacycle
Acetal
Ether
Dialkyl ether
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

angucycline (CHEBI:31048 )

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	2.49	ChemAxon
pKa (Strongest Acidic)	7.4	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	159.82 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	146.6 m³·mol⁻¹	ChemAxon
Polarizability	60.47 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	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

391910

KEGG Compound ID

C12405

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

443813

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione (NP0324268)

MOL for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D MOL for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D SDF for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D-SDF for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

PDB for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D PDB for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

SMILES for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

INCHI for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

Structure for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D Structure for NP0324268 ((3r)-3,8-dihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)