NP-MRD: Showing NP-Card for (13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione (NP0311298)

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Record Information

Version

2.0

Created at

2022-09-11 07:12:06 UTC

Updated at

2022-09-11 07:12:07 UTC

NP-MRD ID

NP0311298

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione

Description

Dermocanarin 6 belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. (13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione is found in Cortinarius. Based on a literature review very few articles have been published on Dermocanarin 6.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112209122D          

 43 48  0  0  1  0            999 V2000
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   12.8700   -1.0324    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


  Mrv1652309112209122D          

 43 48  0  0  1  0            999 V2000
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    8.4429   -1.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5090   -1.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2543   -0.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3204    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8299   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0847   -0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4056   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6604   -0.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5942   -1.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2733   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2072   -2.9470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0186   -1.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490   -2.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829   -2.8324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1699   -1.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360   -0.7193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4147   -0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169    0.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9813   -0.3654    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  1  0  0  0  0
  9 11  2  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
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  1  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 24 36  2  0  0  0  0
 30 36  1  0  0  0  0
 33 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 42  1  6  0  0  0
 40 43  1  0  0  0  0
 32 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0311298

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2C(O)=C3C(C[C@@](C)(O)CC(=O)OC4=C5C(O)=C6C(=O)C[C@](C)(O)CC6=CC5=CC(OC)=C34)=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C33H32O10/c1-32(38)11-17-7-16-9-21(41-4)28-26-18(6-15-8-19(40-3)10-22(42-5)25(15)30(26)37)12-33(2,39)14-23(35)43-31(28)27(16)29(36)24(17)20(34)13-32/h6-10,36-39H,11-14H2,1-5H3/t32-,33-/m1/s1

> <INCHI_KEY>
MJEUMYPNZRZMBF-CZNDPXEESA-N

> <FORMULA>
C33H32O10

> <MOLECULAR_WEIGHT>
588.609

> <EXACT_MASS>
588.19954723

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
62.188518474853566

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(13R,23R)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione

> <JCHEM_LOGP>
3.9341826139999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.317636460628282

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.686541878113127

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9319247365482273

> <JCHEM_POLAR_SURFACE_AREA>
151.98

> <JCHEM_REFRACTIVITY>
157.0204

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(13R,23R)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      24.665  -0.527   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      24.024  -1.927   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      22.491  -2.072   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      21.599  -0.817   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      20.066  -0.962   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      19.173   0.293   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      19.814   1.694   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      19.425  -2.362   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      17.891  -2.507   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      17.907  -0.967   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      17.250  -3.907   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.143  -5.163   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      19.676  -5.018   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      20.317  -3.617   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.850  -3.472   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      18.019  -6.698   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      16.938  -7.794   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.298  -8.516   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      16.637  -9.305   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      15.405  -7.939   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.137  -7.065   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      12.882  -7.957   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      13.728  -5.580   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      14.369  -4.180   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      15.760  -3.519   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      15.884  -1.984   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      17.275  -1.324   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      17.398   0.211   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      14.616  -1.110   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.225  -1.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.957  -0.896   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.566  -1.557   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.443  -3.092   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.710  -3.966   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      11.587  -5.501   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      13.101  -3.305   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.051  -3.752   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       8.928  -5.287   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       7.784  -2.878   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       7.907  -1.343   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.374  -1.488   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       7.498   0.142   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       9.298  -0.682   0.000  0.00  0.00           C+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   25                                                  
CONECT   12   11   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13    8   15                                                  
CONECT   15   14    3                                                       
CONECT   16   12   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25   36                                                  
CONECT   25   24   11   26                                                  
CONECT   26   25   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30                                                       
CONECT   30   29   31   36                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   43                                                  
CONECT   33   32   34   37                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   24   30                                                  
CONECT   37   33   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41   42   43                                             
CONECT   41   40                                                            
CONECT   42   40                                                            
CONECT   43   40   32                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₃₂O₁₀

Average Mass

588.6090 Da

Monoisotopic Mass

588.19955 Da

IUPAC Name

(13R,23R)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione

Traditional Name

(13R,23R)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2C(O)=C3C(C[C@@](C)(O)CC(=O)OC4=C5C(O)=C6C(=O)C[C@](C)(O)CC6=CC5=CC(OC)=C34)=CC2=C1

InChI Identifier

InChI=1S/C33H32O10/c1-32(38)11-17-7-16-9-21(41-4)28-26-18(6-15-8-19(40-3)10-22(42-5)25(15)30(26)37)12-33(2,39)14-23(35)43-31(28)27(16)29(36)24(17)20(34)13-32/h6-10,36-39H,11-14H2,1-5H3/t32-,33-/m1/s1

InChI Key

MJEUMYPNZRZMBF-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 naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Naphthols and derivatives

Direct Parent

Naphthols and derivatives

Alternative Parents

Substituents

1-naphthol
Tetralin
Anisole
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Tertiary alcohol
Vinylogous acid
Carboxylic acid ester
Ketone
Lactone
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Polyol
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
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
logP	3.93	ChemAxon
pKa (Strongest Acidic)	7.69	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	151.98 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	157.02 m³·mol⁻¹	ChemAxon
Polarizability	62.19 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

78440280

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

100998242

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)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione (NP0311298)

MOL for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)

3D MOL for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)

3D SDF for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)

3D-SDF for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)

PDB for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)

3D PDB for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)

SMILES for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)

INCHI for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)

Structure for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)

3D Structure for NP0311298 ((13r,23r)-3,13,19,23-tetrahydroxy-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),3,5,7,9,18,20(25),26,28-decaene-15,21-dione)