NP-MRD: Showing NP-Card for 11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione (NP0196742)

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Record Information

Version

2.0

Created at

2022-09-04 14:52:58 UTC

Updated at

2022-09-04 14:52:58 UTC

NP-MRD ID

NP0196742

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione

Description

Austroviridin A belongs to the class of organic compounds known as benzoxanthenes. These are organic compounds containing a benzene ring fused to a xanthene ring system. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Based on a literature review very few articles have been published on Austroviridin A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042216532D          

 43 49  0  0  0  0            999 V2000
   -2.3645    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3020   -1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309042216532D          

 43 49  0  0  0  0            999 V2000
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    2.6718   -0.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2175   -0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2175   -1.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -2.4454    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  2  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  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
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 21 35  1  0  0  0  0
 35 36  2  0  0  0  0
 17 36  1  0  0  0  0
 13 36  1  0  0  0  0
 12 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
 11 42  2  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0196742

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2C(=O)C3=C(O)CC(C)(O)CC3=C3C4=C5C(=O)C6=CC(C)=CC(OC)=C6C(O)=C5C(=O)C=C4OC1=C23

> <INCHI_IDENTIFIER>
InChI=1S/C33H26O10/c1-12-6-13-22(17(7-12)40-3)31(38)24-15(34)8-19-25(27(24)29(13)36)23-14-10-33(2,39)11-16(35)21(14)30(37)26-18(41-4)9-20(42-5)32(43-19)28(23)26/h6-9,35,38-39H,10-11H2,1-5H3

> <INCHI_KEY>
FAXPAFLPILYBNX-UHFFFAOYSA-N

> <FORMULA>
C33H26O10

> <MOLECULAR_WEIGHT>
582.561

> <EXACT_MASS>
582.152597037

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
59.81433277564074

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0^{2,15}.0^{3,12}.0^{5,10}.0^{21,29}.0^{23,28}]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione

> <JCHEM_LOGP>
1.1291290776666671

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.841519476497555

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.114206481854494

> <JCHEM_PKA_STRONGEST_BASIC>
2.4705765227914642

> <JCHEM_POLAR_SURFACE_AREA>
148.82

> <JCHEM_REFRACTIVITY>
159.22499999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0^{2,15}.0^{3,12}.0^{5,10}.0^{21,29}.0^{23,28}]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.414   3.437   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.874   3.437   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.104   2.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.874   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.104  -0.564   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.874  -1.897   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -4.414  -1.897   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.564  -0.564   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.206  -1.897   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.564  -3.231   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.746  -1.897   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.516  -0.564   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.746   0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.206   0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.564   2.104   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.206   3.437   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.746   3.437   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.516   4.771   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.056   4.771   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.826   6.105   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.826   3.437   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.366   3.437   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.136   4.771   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.136   2.104   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.676   2.104   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.446   3.437   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      10.986   3.437   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.446   0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.676  -0.564   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.446  -1.897   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.136  -0.564   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.366   0.770   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.826   0.770   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.987  -0.762   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.056   2.104   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.516   2.104   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.056  -0.564   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.826  -1.897   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.006  -0.907   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       6.006  -2.887   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       4.056  -3.231   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.516  -3.231   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       1.746  -4.565   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   15                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   14                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   42                                                  
CONECT   12   11   13   37                                                  
CONECT   13   12   14   36                                                  
CONECT   14   13    8   15                                                  
CONECT   15   14    3   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   36                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   35                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   32                                                  
CONECT   25   24   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   24   33                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   21   36                                                  
CONECT   36   35   17   13                                                  
CONECT   37   12   38                                                       
CONECT   38   37   39   40   41                                             
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   38   42                                                       
CONECT   42   41   11   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₂₆O₁₀

Average Mass

582.5610 Da

Monoisotopic Mass

582.15260 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2C(=O)C3=C(O)CC(C)(O)CC3=C3C4=C5C(=O)C6=CC(C)=CC(OC)=C6C(O)=C5C(=O)C=C4OC1=C23

InChI Identifier

InChI=1S/C33H26O10/c1-12-6-13-22(17(7-12)40-3)31(38)24-15(34)8-19-25(27(24)29(13)36)23-14-10-33(2,39)11-16(35)21(14)30(37)26-18(41-4)9-20(42-5)32(43-19)28(23)26/h6-9,35,38-39H,10-11H2,1-5H3

InChI Key

FAXPAFLPILYBNX-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 benzoxanthenes. These are organic compounds containing a benzene ring fused to a xanthene ring system. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Benzoxanthenes

Alternative Parents

Substituents

Benzoxanthene
Naphthopyran
Anthracene
1-naphthol
2-benzopyran
Aryl ketone
Anisole
Alkyl aryl ether
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous ester
Vinylogous acid
Tertiary alcohol
Ketone
Oxacycle
Polyol
Ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
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

78436047

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

136741774

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione (NP0196742)

MOL for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)

3D MOL for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)

3D SDF for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)

3D-SDF for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)

PDB for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)

3D PDB for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)

SMILES for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)

INCHI for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)

Structure for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)

3D Structure for NP0196742 (11,24,26-trihydroxy-9,18,20-trimethoxy-7,26-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]nonacosa-1(28),2,5,7,9,11,14,17(29),18,20,23-undecaene-4,13,22-trione)