NP-MRD: Showing NP-Card for 1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione (NP0292588)

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Record Information

Version

2.0

Created at

2022-09-10 00:11:00 UTC

Updated at

2022-09-10 00:11:00 UTC

NP-MRD ID

NP0292588

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione

Description

1-Hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-{2-[(4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene)methyl]propanoyl}-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]Icosane-5,16-dione belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. 1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione is found in Schisandra propinqua. 1-Hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-{2-[(4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene)methyl]propanoyl}-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]Icosane-5,16-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201506332D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004201506332D          

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   -0.1307    0.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170    1.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4975    1.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3033    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6335    2.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6079    1.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    0.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477    0.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    1.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2968    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9817    1.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  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  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 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
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 23 34  1  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 20 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 13 39  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0292588

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C=C1OC(=O)C(C)=C1)C(=O)C1(C)CC(=O)OC2C1CC1(O)CC34OC(=O)CC3OC(C)(CO)C4CCC21

> <INCHI_IDENTIFIER>
InChI=1S/C29H36O10/c1-14(7-16-8-15(2)25(34)36-16)24(33)26(3)11-22(32)37-23-17-5-6-19-27(4,13-30)38-20-9-21(31)39-29(19,20)12-28(17,35)10-18(23)26/h7-8,14,17-20,23,30,35H,5-6,9-13H2,1-4H3

> <INCHI_KEY>
HODNQANMGOWBRL-UHFFFAOYSA-N

> <FORMULA>
C29H36O10

> <MOLECULAR_WEIGHT>
544.597

> <EXACT_MASS>
544.230847359

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
56.30168911339374

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-{2-[(4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene)methyl]propanoyl}-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione

> <ALOGPS_LOGP>
1.44

> <JCHEM_LOGP>
1.216020599666667

> <ALOGPS_LOGS>
-3.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.499011763878105

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.986923330831793

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0783025246392555

> <JCHEM_POLAR_SURFACE_AREA>
145.66000000000003

> <JCHEM_REFRACTIVITY>
135.8174

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-{2-[(4-methyl-5-oxofuran-2-ylidene)methyl]propanoyl}-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0       8.705   5.323   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.090   4.651   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.365   5.515   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.751   4.842   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      14.109   5.568   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      15.219   4.501   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      16.735   4.771   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      14.547   3.115   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.021   3.326   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.273   1.757   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.201   3.115   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.586   2.443   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       8.926   2.251   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.297   3.657   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.998   1.146   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.577  -0.336   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.649  -1.441   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       8.083  -0.711   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.011   0.394   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.472   0.338   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.672  -0.978   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.144  -1.173   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.039  -0.100   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.535  -0.430   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.022  -1.892   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.867  -1.067   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.017  -2.599   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -0.244   0.898   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       0.778   2.049   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.929   3.582   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.433   3.913   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       3.049   5.324   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       3.001   2.639   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.190   1.433   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.482   2.271   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.942   1.784   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       4.679   3.301   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       6.154   2.734   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.432   1.876   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8    4                                                       
CONECT   10    8                                                            
CONECT   11    2   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15   39                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   39                                                  
CONECT   20   19   21   36                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   34                                                  
CONECT   24   23   25   26   28                                             
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26                                                            
CONECT   28   24   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   23   29   35                                             
CONECT   35   34   36                                                       
CONECT   36   35   20   37   38                                             
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   13   19                                                  
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₃₆O₁₀

Average Mass

544.5970 Da

Monoisotopic Mass

544.23085 Da

IUPAC Name

1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-{2-[(4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene)methyl]propanoyl}-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione

Traditional Name

1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-{2-[(4-methyl-5-oxofuran-2-ylidene)methyl]propanoyl}-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione

CAS Registry Number

Not Available

SMILES

CC(C=C1OC(=O)C(C)=C1)C(=O)C1(C)CC(=O)OC2C1CC1(O)CC34OC(=O)CC3OC(C)(CO)C4CCC21

InChI Identifier

InChI=1S/C29H36O10/c1-14(7-16-8-15(2)25(34)36-16)24(33)26(3)11-22(32)37-23-17-5-6-19-27(4,13-30)38-20-9-21(31)39-29(19,20)12-28(17,35)10-18(23)26/h7-8,14,17-20,23,30,35H,5-6,9-13H2,1-4H3

InChI Key

HODNQANMGOWBRL-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
Schisandra propinqua	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Furofuran
Delta valerolactone
Delta_valerolactone
2-furanone
Oxane
Gamma butyrolactone
Monosaccharide
Cyclic alcohol
Dihydrofuran
Enol ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Carboxylic acid ester
Ketone
Lactone
Ether
Organoheterocyclic compound
Oxacycle
Dialkyl ether
Primary alcohol
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organooxygen compound
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	1.44	ALOGPS
logP	1.22	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	13.99	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	145.66 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	135.82 m³·mol⁻¹	ChemAxon
Polarizability	56.3 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

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

75167203

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione (NP0292588)

MOL for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)

3D MOL for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)

3D SDF for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)

3D-SDF for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)

PDB for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)

3D PDB for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)

SMILES for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)

INCHI for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)

Structure for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)

3D Structure for NP0292588 (1-hydroxy-9-(hydroxymethyl)-9,18-dimethyl-18-[2-methyl-3-(4-methyl-5-oxofuran-2-ylidene)propanoyl]-4,8,15-trioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁹]icosane-5,16-dione)