NP-MRD: Showing NP-Card for 12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate (NP0208511)

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Record Information

Version

2.0

Created at

2022-09-05 05:32:31 UTC

Updated at

2022-09-05 05:32:31 UTC

NP-MRD ID

NP0208511

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate

Description

12,14-Dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]Heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. 12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate is found in Talaromyces purpureogenus. 12,14-Dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]Heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171513252D          

 42 48  0  0  0  0            999 V2000
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M  END

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M  END


  Mrv1533004171513252D          

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    7.1140    1.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4838    0.9413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8902    1.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5204    1.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2966    1.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3745    2.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5983    2.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4524    3.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4892    4.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9834    4.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    5.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6834    6.1089    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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 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
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 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
 25 26  2  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 15 27  1  0  0  0  0
 13 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 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
 36 37  2  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  0  0  0  0
 12 38  1  0  0  0  0
  8 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0208511

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1(O)OC2(C3C1CC1=C(C3C3=C2C(=O)C2=C(O)C=C(C)C=C2O3)C(=O)C2=C(O)C=C(C)C=C2O1)C(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C30H24O12/c1-10-5-13(31)18-15(7-10)40-17-9-12-22-21(20(17)24(18)33)26-23(25(34)19-14(32)6-11(2)8-16(19)41-26)29(22,27(35)38-3)42-30(12,37)28(36)39-4/h5-8,12,21-22,31-32,37H,9H2,1-4H3

> <INCHI_KEY>
RRGJMIUFDPLICY-UHFFFAOYSA-N

> <FORMULA>
C30H24O12

> <MOLECULAR_WEIGHT>
576.51

> <EXACT_MASS>
576.126776213

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
56.39913872640689

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate

> <ALOGPS_LOGP>
2.76

> <JCHEM_LOGP>
3.699225715666668

> <ALOGPS_LOGS>
-3.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.806889580764901

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.209220505866806

> <JCHEM_PKA_STRONGEST_BASIC>
-4.430762436711729

> <JCHEM_POLAR_SURFACE_AREA>
175.11999999999998

> <JCHEM_REFRACTIVITY>
143.2502

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.30e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      11.132  14.340   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.976  13.322   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      10.280  11.812   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      11.739  11.320   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.124  10.794   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.246  12.059   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       7.767  10.067   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       8.039   8.551   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.565   8.342   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.741   9.336   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.190   8.814   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.462   7.298   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.286   6.304   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.837   6.826   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.480   6.099   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.368   7.165   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.889   6.736   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.778   7.802   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.522   5.240   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.043   4.811   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.932   5.877   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.675   3.315   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.786   2.249   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.419   0.754   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.265   2.679   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.633   4.174   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.112   4.603   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      11.558   4.789   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      10.382   3.795   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      13.007   4.267   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.280   2.751   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      12.103   1.757   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      14.728   2.229   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      15.905   3.223   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      17.354   2.701   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.632   4.738   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      14.184   5.260   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      13.911   6.776   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       6.513   8.761   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.569   7.544   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       5.932  10.187   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       6.876  11.403   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7   10                                             
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   16   39                                             
CONECT    9    8   10   14                                                  
CONECT   10    9    5   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   38                                                  
CONECT   13   12   14   28                                                  
CONECT   14   13    9   15                                                  
CONECT   15   14   16   27                                                  
CONECT   16   15    8   17                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   26                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   19   27                                                  
CONECT   27   26   15                                                       
CONECT   28   13   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   37                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   30   38                                                  
CONECT   38   37   12                                                       
CONECT   39    8   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   96    0
END

View in JSmol

Synonyms

Value	Source
12,14-Dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0,.0,.0,.0,.0,]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylic acid	Generator
12,14-Dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylic acid	Generator

Chemical Formula

C₃₀H₂₄O₁₂

Average Mass

576.5100 Da

Monoisotopic Mass

576.12678 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(=O)C1(O)OC2(C3C1CC1=C(C3C3=C2C(=O)C2=C(O)C=C(C)C=C2O3)C(=O)C2=C(O)C=C(C)C=C2O1)C(=O)OC

InChI Identifier

InChI=1S/C30H24O12/c1-10-5-13(31)18-15(7-10)40-17-9-12-22-21(20(17)24(18)33)26-23(25(34)19-14(32)6-11(2)8-16(19)41-26)29(22,27(35)38-3)42-30(12,37)28(36)39-4/h5-8,12,21-22,31-32,37H,9H2,1-4H3

InChI Key

RRGJMIUFDPLICY-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

Species Name	Source	Reference
Penicillium purpurogenum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. 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

Xanthones

Alternative Parents

Substituents

Xanthone
Chromone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Dicarboxylic acid or derivatives
Pyran
Benzenoid
Heteroaromatic compound
Tetrahydrofuran
Methyl ester
Vinylogous acid
Hemiacetal
Carboxylic acid ester
Polyol
Oxacycle
Carboxylic acid derivative
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
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	2.76	ALOGPS
logP	3.7	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	7.21	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	175.12 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	143.25 m³·mol⁻¹	ChemAxon
Polarizability	56.4 Å³	ChemAxon
Number of Rings	7	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate (NP0208511)

MOL for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)

3D MOL for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)

3D SDF for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)

3D-SDF for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)

PDB for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)

3D PDB for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)

SMILES for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)

INCHI for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)

Structure for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)

3D Structure for NP0208511 (12,14-dimethyl 8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.0²,¹¹.0⁴,⁹.0¹²,²⁷.0¹⁷,²⁶.0¹⁹,²⁴]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate)