NP-MRD: Showing NP-Card for 3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid (NP0203091)

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Record Information

Version

2.0

Created at

2022-09-04 22:27:54 UTC

Updated at

2022-09-04 22:27:54 UTC

NP-MRD ID

NP0203091

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid

Description

3,6-Dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]Icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol. 3,6-Dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]Icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261504132D          

 37 41  0  0  0  0            999 V2000
   -0.5612   -3.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6329   -0.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411   -1.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018   -0.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3887   -0.1390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8526    0.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004261504132D          

 37 41  0  0  0  0            999 V2000
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    1.7394   -5.9592    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 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  1  0  0  0  0
 30 33  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0203091

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC23CCCN2CCC2=CC4=C(OCO4)C=C2C3C1OC(=O)C(O)(CCC(C)(C)O)CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H35NO9/c1-25(2,32)7-8-27(33,14-21(29)30)24(31)37-23-20(34-3)13-26-6-4-9-28(26)10-5-16-11-18-19(36-15-35-18)12-17(16)22(23)26/h11-13,22-23,32-33H,4-10,14-15H2,1-3H3,(H,29,30)

> <INCHI_KEY>
GSBQSICGIBSDBW-UHFFFAOYSA-N

> <FORMULA>
C27H35NO9

> <MOLECULAR_WEIGHT>
517.575

> <EXACT_MASS>
517.231181711

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
53.622559097371905

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid

> <ALOGPS_LOGP>
1.71

> <JCHEM_LOGP>
-1.4378280396957626

> <ALOGPS_LOGS>
-3.08

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.370521958375914

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6115091223783238

> <JCHEM_PKA_STRONGEST_BASIC>
9.418235652264332

> <JCHEM_POLAR_SURFACE_AREA>
134.99

> <JCHEM_REFRACTIVITY>
132.7048

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.26e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      -1.048  -5.884   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.475  -5.652   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.036  -4.218   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.246  -3.135   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.181  -1.730   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.077  -2.619   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.310  -1.696   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.814  -0.238   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       0.726  -0.259   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       1.591   1.014   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.127   1.131   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.176   0.004   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.609   0.568   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.814  -0.391   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.333  -0.136   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.044  -1.502   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.965  -2.601   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.586  -1.914   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.154  -2.478   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.948  -1.520   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.616  -2.291   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.526  -3.829   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.716  -4.805   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.466  -6.325   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.025  -6.868   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.657  -7.301   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.848  -8.278   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.633  -6.110   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.153  -6.361   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.130  -5.170   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.106  -3.979   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.320  -6.146   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.939  -4.193   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.680  -8.492   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.223  -9.933   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.743 -10.183   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       3.247 -11.124   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9   21                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    5   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   14   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   12   21                                                  
CONECT   21   20    5   22                                                  
CONECT   22   21    3   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28   34                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32   33                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   30                                                            
CONECT   34   26   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Value	Source
3,6-Dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0,.0,.0,]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoate	Generator
3,6-Dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoate	Generator

Chemical Formula

C₂₇H₃₅NO₉

Average Mass

517.5750 Da

Monoisotopic Mass

517.23118 Da

IUPAC Name

3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid

Traditional Name

3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid

CAS Registry Number

Not Available

SMILES

COC1=CC23CCCN2CCC2=CC4=C(OCO4)C=C2C3C1OC(=O)C(O)(CCC(C)(C)O)CC(O)=O

InChI Identifier

InChI=1S/C27H35NO9/c1-25(2,32)7-8-27(33,14-21(29)30)24(31)37-23-20(34-3)13-26-6-4-9-28(26)10-5-16-11-18-19(36-15-35-18)12-17(16)22(23)26/h11-13,22-23,32-33H,4-10,14-15H2,1-3H3,(H,29,30)

InChI Key

GSBQSICGIBSDBW-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Proaporphines

Sub Class

Not Available

Direct Parent

Proaporphines

Alternative Parents

Substituents

Proaporphine
Tetrahydroisoquinoline
Indane
Anisole
Alkyl aryl ether
Cyclohexenone
Aralkylamine
Benzenoid
Ketone
Cyclic ketone
Secondary aliphatic amine
Ether
Secondary amine
Azacycle
Organoheterocyclic compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Amine
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
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	1.71	ALOGPS
logP	-1.4	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	3.61	ChemAxon
pKa (Strongest Basic)	9.42	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	134.99 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	132.7 m³·mol⁻¹	ChemAxon
Polarizability	53.62 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

85173615

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid (NP0203091)

MOL for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)

3D MOL for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)

3D SDF for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)

3D-SDF for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)

PDB for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)

3D PDB for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)

SMILES for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)

INCHI for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)

Structure for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)

3D Structure for NP0203091 (3,6-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acid)