NP-MRD: Showing NP-Card for 3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone (NP0267585)

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Record Information

Version

2.0

Created at

2022-09-08 12:24:37 UTC

Updated at

2022-09-08 12:24:37 UTC

NP-MRD ID

NP0267585

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone

Description

3'',4,6'',10''-Tetrahydroxy-6,14''-dimethoxy-5'-methyl-3H-dispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]Hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. 3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone is found in Talaromyces verruculosus. Based on a literature review very few articles have been published on 3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyl-3H-dispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]Hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082214242D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309082214242D          

 41 47  0  0  0  0            999 V2000
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    2.2007   -0.5335    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
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  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
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  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
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 19 39  1  0  0  0  0
 39 40  2  0  0  0  0
 32 40  1  0  0  0  0
 40 41  1  0  0  0  0
 22 41  1  0  0  0  0
 28 41  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0267585

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C(=O)OC3(C(C)=CC(=O)C33C(O)=C4C(=O)C(O)=CC5=C4C4=C3C(OC)=CC(=O)C4=C(O)O5)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H18O12/c1-9-4-17(33)28(29(9)11-5-10(38-2)6-12(30)18(11)27(37)41-29)23-16(39-3)7-13(31)19-21(23)20-15(40-26(19)36)8-14(32)24(34)22(20)25(28)35/h4-8,30,32,35-36H,1-3H3

> <INCHI_KEY>
JZRVHFKTEMJGIG-UHFFFAOYSA-N

> <FORMULA>
C29H18O12

> <MOLECULAR_WEIGHT>
558.451

> <EXACT_MASS>
558.07982602

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
51.517540877939

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyl-3H-dispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone

> <JCHEM_LOGP>
0.5950594609822707

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.883765894953963

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9007414426774987

> <JCHEM_PKA_STRONGEST_BASIC>
4.702842831964666

> <JCHEM_POLAR_SURFACE_AREA>
186.11999999999995

> <JCHEM_REFRACTIVITY>
153.48789999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      15.237  -2.453   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      13.699  -2.930   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      12.133  -2.319   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.222  -0.782   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.935   0.064   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      11.766   1.497   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       9.559  -0.628   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.291  -2.563   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.758  -3.011   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.981  -2.556   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.239  -1.062   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.125  -0.069   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.231   1.763   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       8.813  -3.852   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.684  -5.279   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.837  -5.044   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.402  -4.484   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.587  -5.856   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.491  -2.947   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.051  -3.491   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.591  -5.098   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.859  -2.516   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.418  -3.060   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.624  -4.454   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.227  -2.084   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.317  -2.519   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.476  -0.564   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.916  -0.020   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       3.165   1.499   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.606   2.044   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.357   3.636   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.798   1.068   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.238   1.612   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.088   3.202   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       8.430   0.637   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.181  -0.883   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       9.633  -1.743   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      10.819  -0.870   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.740  -1.427   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.549  -0.452   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.108  -0.996   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   12                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8    3                                                       
CONECT   10    8   11   14   19                                             
CONECT   11   10   12                                                       
CONECT   12   11    7   13                                                  
CONECT   13   12                                                            
CONECT   14   10   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   10   20   39                                             
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   41                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   41                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   40                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37   39                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   36   19   40                                                  
CONECT   40   39   32   41                                                  
CONECT   41   40   22   28                                                  
MASTER        0    0    0    0    0    0    0    0   41    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₁₈O₁₂

Average Mass

558.4510 Da

Monoisotopic Mass

558.07983 Da

IUPAC Name

3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyl-3H-dispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone

Traditional Name

3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(=O)OC3(C(C)=CC(=O)C33C(O)=C4C(=O)C(O)=CC5=C4C4=C3C(OC)=CC(=O)C4=C(O)O5)C2=C1

InChI Identifier

InChI=1S/C29H18O12/c1-9-4-17(33)28(29(9)11-5-10(38-2)6-12(30)18(11)27(37)41-29)23-16(39-3)7-13(31)19-21(23)20-15(40-26(19)36)8-14(32)24(34)22(20)25(28)35/h4-8,30,32,35-36H,1-3H3

InChI Key

JZRVHFKTEMJGIG-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
Talaromyces verruculosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Not Available

Direct Parent

Phenanthrenes and derivatives

Alternative Parents

Substituents

Phenanthrene
Coumarin
Isobenzofuranone
2-benzopyran
1-benzopyran
Phthalide
Naphthalene
Benzopyran
Benzofuranone
Isocoumaran
Isobenzofuran
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Heteroaromatic compound
Vinylogous ester
Vinylogous acid
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen 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	0.6	ChemAxon
pKa (Strongest Acidic)	1.9	ChemAxon
pKa (Strongest Basic)	4.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	186.12 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	153.49 m³·mol⁻¹	ChemAxon
Polarizability	51.52 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	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

162816629

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone (NP0267585)

MOL for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)

3D MOL for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)

3D SDF for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)

3D-SDF for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)

PDB for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)

3D PDB for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)

SMILES for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)

INCHI for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)

Structure for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)

3D Structure for NP0267585 (3'',4,6'',10''-tetrahydroxy-6,14''-dimethoxy-5'-methyldispiro[2-benzofuran-1,1'-cyclopentane-2',2''-[9]oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane]-1''(15''),3'',4',6'',8''(16''),10'',13''-heptaene-3,3',5'',12''-tetrone)