NP-MRD: Showing NP-Card for 3,7-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]-7-methyloctanoic acid (NP0319900)

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Record Information

Version

2.0

Created at

2022-09-11 21:10:39 UTC

Updated at

2022-09-11 21:10:40 UTC

NP-MRD ID

NP0319900

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,7-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]-7-methyloctanoic acid

Description

3,7-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]-7-methyloctanoic acid belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 3,7-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]-7-methyloctanoic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171517532D          

 38 42  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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   -0.0411   -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
   -0.4362   -0.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.6752    0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2371    0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047    0.3043    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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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  9 10  1  0  0  0  0
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 20 21  1  0  0  0  0
  5 21  1  0  0  0  0
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  3 22  1  0  0  0  0
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 26 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004171517532D          

 38 42  0  0  0  0            999 V2000
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    5.1691   -2.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0350   -3.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3032   -2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9831   -3.0378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9716   -4.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625   -5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0765   -5.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0319900

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C28H37NO9/c1-26(2,33)7-4-9-28(34,15-22(30)31)25(32)38-24-21(35-3)14-27-8-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,33-34H,4-11,15-16H2,1-3H3,(H,30,31)

> <INCHI_KEY>
LRNKGNYRSLLFRU-UHFFFAOYSA-N

> <FORMULA>
C28H37NO9

> <MOLECULAR_WEIGHT>
531.602

> <EXACT_MASS>
531.246831775

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
56.068911644527766

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,7-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]-7-methyloctanoic acid

> <ALOGPS_LOGP>
1.99

> <JCHEM_LOGP>
-0.993234793505203

> <ALOGPS_LOGS>
-3.29

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.37591094236317

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.658220758926804

> <JCHEM_PKA_STRONGEST_BASIC>
9.418241720410009

> <JCHEM_POLAR_SURFACE_AREA>
134.99

> <JCHEM_REFRACTIVITY>
137.3058

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.74e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,7-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]-7-methyloctanoic acid

> <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      -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       9.649  -5.420   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.399  -6.940   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.899  -3.901   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      11.169  -5.671   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       3.680  -8.492   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.223  -9.933   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       5.743 -10.183   0.000  0.00  0.00           O+0
HETATM   38  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   35                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33   34                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   31                                                            
CONECT   35   26   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Value	Source
3,7-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]-7-methyloctanoate	Generator
3,7-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]-7-methyloctanoate	Generator

Chemical Formula

C₂₈H₃₇NO₉

Average Mass

531.6020 Da

Monoisotopic Mass

531.24683 Da

IUPAC Name

3,7-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]-7-methyloctanoic acid

Traditional Name

3,7-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]-7-methyloctanoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C28H37NO9/c1-26(2,33)7-4-9-28(34,15-22(30)31)25(32)38-24-21(35-3)14-27-8-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,33-34H,4-11,15-16H2,1-3H3,(H,30,31)

InChI Key

LRNKGNYRSLLFRU-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 cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Cyclohexenones

Alternative Parents

Substituents

Cyclohexenone
Alpha-acyloxy ketone
2-furanone
Pyran
Alpha-haloketone
Alpha-chloroketone
Dihydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Oxacycle
Chloroalkene
Monocarboxylic acid or derivatives
Haloalkene
Organoheterocyclic compound
Vinyl halide
Vinyl chloride
Organochloride
Organic oxide
Hydrocarbon derivative
Organohalogen 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	1.99	ALOGPS
logP	-0.99	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	3.66	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	10	ChemAxon
Refractivity	137.31 m³·mol⁻¹	ChemAxon
Polarizability	56.07 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

10230250

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,7-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]-7-methyloctanoic acid (NP0319900)

MOL for NP0319900 (3,7-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]-7-methyloctanoic acid)

3D MOL for NP0319900 (3,7-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]-7-methyloctanoic acid)

3D SDF for NP0319900 (3,7-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]-7-methyloctanoic acid)

3D-SDF for NP0319900 (3,7-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]-7-methyloctanoic acid)

PDB for NP0319900 (3,7-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]-7-methyloctanoic acid)

3D PDB for NP0319900 (3,7-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]-7-methyloctanoic acid)

SMILES for NP0319900 (3,7-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]-7-methyloctanoic acid)

INCHI for NP0319900 (3,7-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]-7-methyloctanoic acid)

Structure for NP0319900 (3,7-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]-7-methyloctanoic acid)

3D Structure for NP0319900 (3,7-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]-7-methyloctanoic acid)