NP-MRD: Showing NP-Card for 9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione (NP0173170)

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Record Information

Version

2.0

Created at

2022-09-03 10:15:45 UTC

Updated at

2022-09-03 10:15:45 UTC

NP-MRD ID

NP0173170

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione

Description

9-{5,14-Dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]Tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione 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. Based on a literature review very few articles have been published on 9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]Tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032212152D          

 59 67  0  0  0  0            999 V2000
    0.0000   -7.4250    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
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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M  END

     RDKit          3D

111119  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0173170

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(CCC1O)OC1CCC(OC2(C)CC(=O)C3(O)C4=C(C=CC3(O)C2)C(=O)C2=C(O)C(=CC=C2C4=O)C2CC3OC4CC(=O)C(C)OC4OC3C(C)O2)OC1C

> <INCHI_IDENTIFIER>
InChI=1S/C43H52O16/c1-18-25(44)8-10-32(53-18)57-27-9-11-33(54-20(27)3)59-41(5)16-31(46)43(51)35-24(12-13-42(43,50)17-41)37(48)34-23(38(35)49)7-6-22(36(34)47)28-15-29-39(21(4)52-28)58-40-30(56-29)14-26(45)19(2)55-40/h6-7,12-13,18-21,25,27-30,32-33,39-40,44,47,50-51H,8-11,14-17H2,1-5H3

> <INCHI_KEY>
CVLVPRNGMHOWPC-UHFFFAOYSA-N

> <FORMULA>
C43H52O16

> <MOLECULAR_WEIGHT>
824.873

> <EXACT_MASS>
824.325535594

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
111

> <JCHEM_AVERAGE_POLARIZABILITY>
87.48131356537263

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0^{3,8}]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione

> <ALOGPS_LOGP>
2.65

> <JCHEM_LOGP>
2.672330651333331

> <ALOGPS_LOGS>
-4.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.154451887186214

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.789802210274009

> <JCHEM_PKA_STRONGEST_BASIC>
-3.150846782070988

> <JCHEM_POLAR_SURFACE_AREA>
223.03999999999994

> <JCHEM_REFRACTIVITY>
204.1513

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.50e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0^{3,8}]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.667 -13.860   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       4.001 -14.630   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.335 -13.860   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.668 -14.630   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       9.336 -14.630   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669 -16.940   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.337 -16.940   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.337 -18.480   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.003 -19.250   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.669 -18.480   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       9.336 -19.250   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      12.003 -20.790   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.669 -21.560   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      13.337 -21.560   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.670 -20.790   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.670 -19.250   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      16.004 -18.480   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      16.004 -21.560   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      16.004 -20.020   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      17.338 -20.790   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      17.338 -19.250   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      18.672 -21.560   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      18.672 -23.100   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      20.188 -22.833   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      19.198 -24.547   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      18.208 -25.727   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.735 -27.174   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      17.745 -28.354   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      16.229 -28.086   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      15.239 -29.266   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      13.722 -28.999   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      12.732 -30.178   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      11.216 -29.911   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.689 -28.464   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       9.172 -28.196   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      11.679 -27.284   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      11.152 -25.837   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      13.195 -27.551   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      15.702 -26.639   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      14.185 -26.372   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      16.692 -25.459   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      17.338 -23.870   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      16.004 -23.100   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      16.004 -24.640   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      14.670 -23.870   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      13.337 -23.100   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       8.002 -16.940   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0       5.335 -16.940   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0       4.001 -16.170   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       2.667 -16.940   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0       0.000 -16.940   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   58                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   56                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   54                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   53                                                  
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15   11   17                                                  
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   52                                                  
CONECT   21   20   22   24                                                  
CONECT   22   21   14   23                                                  
CONECT   23   22                                                            
CONECT   24   21   25   26   49                                             
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   31   48                                             
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   47                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   45                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   44                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   37                                                       
CONECT   45   35   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   32                                                       
CONECT   48   29   49                                                       
CONECT   49   48   24   50   51                                             
CONECT   50   49                                                            
CONECT   51   49   52                                                       
CONECT   52   51   20                                                       
CONECT   53   10   54                                                       
CONECT   54   53    6   55                                                  
CONECT   55   54   56                                                       
CONECT   56   55    4   57                                                  
CONECT   57   56   58                                                       
CONECT   58   57    2   59                                                  
CONECT   59   58                                                            
MASTER        0    0    0    0    0    0    0    0   59    0  134    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₃H₅₂O₁₆

Average Mass

824.8730 Da

Monoisotopic Mass

824.32554 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1OC(CCC1O)OC1CCC(OC2(C)CC(=O)C3(O)C4=C(C=CC3(O)C2)C(=O)C2=C(O)C(=CC=C2C4=O)C2CC3OC4CC(=O)C(C)OC4OC3C(C)O2)OC1C

InChI Identifier

InChI=1S/C43H52O16/c1-18-25(44)8-10-32(53-18)57-27-9-11-33(54-20(27)3)59-41(5)16-31(46)43(51)35-24(12-13-42(43,50)17-41)37(48)34-23(38(35)49)7-6-22(36(34)47)28-15-29-39(21(4)52-28)58-40-30(56-29)14-26(45)19(2)55-40/h6-7,12-13,18-21,25,27-30,32-33,39-40,44,47,50-51H,8-11,14-17H2,1-5H3

InChI Key

CVLVPRNGMHOWPC-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

Not Available

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
Hydroxyanthraquinone
Naphthalene
Pyranodioxin
Aryl ketone
Quinone
1-hydroxy-4-unsubstituted benzenoid
Para-dioxane
Oxane
Benzenoid
Cyclic alcohol
Vinylogous acid
Tertiary alcohol
Ketone
Cyclic ketone
Secondary alcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Dialkyl ether
Organooxygen compound
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
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

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

72681635

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione (NP0173170)

MOL for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D MOL for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D SDF for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D-SDF for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

PDB for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D PDB for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

SMILES for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

INCHI for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

Structure for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D Structure for NP0173170 (9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-4a,8,12b-trihydroxy-3-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)