NP-MRD: Showing NP-Card for (13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone (NP0215805)

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Record Information

Version

2.0

Created at

2022-09-05 15:32:44 UTC

Updated at

2022-09-05 15:32:44 UTC

NP-MRD ID

NP0215805

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone

Description

Dermocanarin 4 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,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone is found in Cortinarius sinapicolor. Based on a literature review very few articles have been published on Dermocanarin 4.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052217322D          

 43 48  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
    7.3477    4.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8697    3.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0484    3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5705    3.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7050    4.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1829    5.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395    5.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0182    5.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5403    5.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8837    4.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    3.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7419    5.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 41  1  0  0  0  0
  8 42  1  0  0  0  0
  3 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309052217322D          

 43 48  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
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    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  1  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
    7.0043    5.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4822    5.7596    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  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 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
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  2  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  6  0  0  0
 31 34  1  0  0  0  0
 10 34  1  0  0  0  0
 22 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  6  0  0  0
 38 41  1  0  0  0  0
 21 41  1  0  0  0  0
  8 42  1  0  0  0  0
  3 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0215805

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=O)C2=C(C=C3C[C@@](C)(O)CC(=O)OC4=C5C(O)=C6C(=O)C[C@@](C)(O)CC6=CC5=CC(OC)=C4C3=C2O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H28O11/c1-31(39)9-14-5-13-7-19(41-3)26-23-15(6-16-25(29(23)38)17(33)8-20(42-4)27(16)36)10-32(2,40)12-21(35)43-30(26)24(13)28(37)22(14)18(34)11-31/h5-8,37-40H,9-12H2,1-4H3/t31-,32+/m0/s1

> <INCHI_KEY>
FODICJOAXWMHEC-AJQTZOPKSA-N

> <FORMULA>
C32H28O11

> <MOLECULAR_WEIGHT>
588.565

> <EXACT_MASS>
588.163161722

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
60.18279805028199

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(13R,23S)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0^{2,11}.0^{4,9}.0^{18,27}.0^{20,25}]nonacosa-1(29),2,4(9),6,10,17,19,25,27-nonaene-5,8,15,21-tetrone

> <JCHEM_LOGP>
3.0252902313333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.808714951232158

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.200818618134888

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9319279258240076

> <JCHEM_POLAR_SURFACE_AREA>
176.89000000000001

> <JCHEM_REFRACTIVITY>
154.4876

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(13R,23S)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0^{2,11}.0^{4,9}.0^{18,27}.0^{20,25}]nonacosa-1(29),2,4(9),6,10,17,19,25,27-nonaene-5,8,15,21-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-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      10.649   8.386   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.541   9.641   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.900  11.041   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.367  11.186   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.475   9.931   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.116   8.531   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       9.132   6.991   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.985   9.543   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.108   8.008   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.499   7.347   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.623   5.812   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.841   7.133   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.450   7.794   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.182   6.920   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.791   7.580   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.667   9.115   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.935   9.990   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.812  11.525   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.326   9.329   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.594  10.203   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.953  11.604   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.362  13.088   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.106  13.981   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       6.629  13.963   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.163  13.818   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.862  15.328   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       9.523  14.539   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       9.244  12.721   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.276   9.776   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       0.153  11.311   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -0.991   8.901   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -0.868   7.366   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.401   7.511   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.277   5.882   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       0.523   6.706   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      13.075   9.496   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      13.967  10.751   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   42                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   12                                                  
CONECT    8    7    9   42                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   34                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11    7   13                                                  
CONECT   13   12                                                            
CONECT   14   11   15   26                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   41                                                  
CONECT   22   21   23   35                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   19   26                                                  
CONECT   26   25   14   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   33   34                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   31   10                                                       
CONECT   35   22   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   40   41                                             
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   38   21                                                       
CONECT   42    8    3   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₂₈O₁₁

Average Mass

588.5650 Da

Monoisotopic Mass

588.16316 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(=O)C2=C(C=C3C[C@@](C)(O)CC(=O)OC4=C5C(O)=C6C(=O)C[C@@](C)(O)CC6=CC5=CC(OC)=C4C3=C2O)C1=O

InChI Identifier

InChI=1S/C32H28O11/c1-31(39)9-14-5-13-7-19(41-3)26-23-15(6-16-25(29(23)38)17(33)8-20(42-4)27(16)36)10-32(2,40)12-21(35)43-30(26)24(13)28(37)22(14)18(34)11-31/h5-8,37-40H,9-12H2,1-4H3/t31-,32+/m0/s1

InChI Key

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

10282786

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21672316

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone (NP0215805)

MOL for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)

3D MOL for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)

3D SDF for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)

3D-SDF for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)

PDB for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)

3D PDB for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)

SMILES for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)

INCHI for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)

Structure for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)

3D Structure for NP0215805 ((13r,23s)-3,13,19,23-tetrahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4(9),6,10,18,20(25),26,28-nonaene-5,8,15,21-tetrone)