NP-MRD: Showing NP-Card for (13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone (NP0225325)

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Record Information

Version

2.0

Created at

2022-09-06 04:00:47 UTC

Updated at

2022-09-06 04:00:47 UTC

NP-MRD ID

NP0225325

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone

Description

Dermocanarin 9 belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). (13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone is found in Cortinarius. Based on a literature review very few articles have been published on Dermocanarin 9.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062206002D          

 44 49  0  0  1  0            999 V2000
    8.5124    3.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1690    4.2594    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


  Mrv1652309062206002D          

 44 49  0  0  1  0            999 V2000
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    1.5723    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5062    6.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    4.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9967    5.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532    6.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724    7.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1999    7.4896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515    7.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3728    7.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2116    8.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1017    7.7889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9521    6.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1480    5.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0818    6.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311    4.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4650    3.9463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2863    4.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841    3.1509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2802    3.5924    0.0000 C   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
  3 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 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
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 17 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  6  0  0  0
 34 37  1  0  0  0  0
 13 37  1  0  0  0  0
 25 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  6  0  0  0
 41 43  1  1  0  0  0
 41 44  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0225325

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2C(=O)C3=C(C[C@@](C)(O)CC(=O)OC4=C5C(O)=C6C(=O)C[C@](C)(O)CC6=CC5=CC(OC)=C34)C(=O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C33H30O11/c1-32(39)10-15-6-14-7-20(42-4)27-26-18(28(36)17-8-16(41-3)9-21(43-5)25(17)30(26)38)11-33(2,40)13-22(35)44-31(27)24(14)29(37)23(15)19(34)12-32/h6-9,37,39-40H,10-13H2,1-5H3/t32-,33-/m1/s1

> <INCHI_KEY>
YWBVDVSJHXXNLK-CZNDPXEESA-N

> <FORMULA>
C33H30O11

> <MOLECULAR_WEIGHT>
602.592

> <EXACT_MASS>
602.178811786

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
62.42949441701356

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(13R,23R)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0^{2,11}.0^{4,9}.0^{18,27}.0^{20,25}]nonacosa-1(17),2(11),4(9),5,7,18,20(25),26,28-nonaene-3,10,15,21-tetrone

> <JCHEM_LOGP>
2.672334847

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.346332224879895

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.495240024640866

> <JCHEM_PKA_STRONGEST_BASIC>
-2.931249843984924

> <JCHEM_POLAR_SURFACE_AREA>
165.88999999999996

> <JCHEM_REFRACTIVITY>
157.3463

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(13R,23R)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0^{2,11}.0^{4,9}.0^{18,27}.0^{20,25}]nonacosa-1(17),2(11),4(9),5,7,18,20(25),26,28-nonaene-3,10,15,21-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      15.890   6.551   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      15.249   7.951   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      13.716   8.096   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.824   6.841   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.290   6.986   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      10.398   5.730   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      11.039   4.330   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.649   8.386   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.541   9.641   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.075   9.496   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.900  11.041   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.793  12.297   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       9.367  11.186   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.475   9.931   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.116   8.531   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.132   6.991   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.985   9.543   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.108   8.008   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.499   7.347   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       8.623   5.812   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.841   7.133   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.450   7.794   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.182   6.920   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.791   7.580   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.667   9.115   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.935   9.990   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.812  11.525   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.326   9.329   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.594  10.203   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.953  11.604   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.362  13.088   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       4.106  13.981   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       6.629  13.963   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.163  13.818   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.862  15.328   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       9.523  14.539   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       9.244  12.721   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.276   9.776   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       0.153  11.311   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -0.991   8.901   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.868   7.366   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.401   7.511   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -1.277   5.882   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       0.523   6.706   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   15                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9    3                                                       
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   37                                                  
CONECT   14   13   15   17                                                  
CONECT   15   14    8   16                                                  
CONECT   16   15                                                            
CONECT   17   14   18   29                                                  
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23   28                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   44                                                  
CONECT   25   24   26   38                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   22   29                                                  
CONECT   29   28   17   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36   37                                             
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   34   13                                                       
CONECT   38   25   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42   43   44                                             
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   41   24                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₃₀O₁₁

Average Mass

602.5920 Da

Monoisotopic Mass

602.17881 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2C(=O)C3=C(C[C@@](C)(O)CC(=O)OC4=C5C(O)=C6C(=O)C[C@](C)(O)CC6=CC5=CC(OC)=C34)C(=O)C2=C1

InChI Identifier

InChI=1S/C33H30O11/c1-32(39)10-15-6-14-7-20(42-4)27-26-18(28(36)17-8-16(41-3)9-21(43-5)25(17)30(26)38)11-33(2,40)13-22(35)44-31(27)24(14)29(37)23(15)19(34)12-32/h6-9,37,39-40H,10-13H2,1-5H3/t32-,33-/m1/s1

InChI Key

YWBVDVSJHXXNLK-CZNDPXEESA-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
Cortinarius	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Naphthoquinone
1-naphthol
Tetralin
Anisole
Quinone
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Vinylogous acid
Tertiary alcohol
Carboxylic acid ester
Ketone
Lactone
Oxacycle
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Polyol
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Organooxygen compound
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

78440077

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

100998243

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone (NP0225325)

MOL for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D MOL for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D SDF for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D-SDF for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

PDB for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D PDB for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

SMILES for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

INCHI for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

Structure for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D Structure for NP0225325 ((13r,23r)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)