NP-MRD: Showing NP-Card for 3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid (NP0242058)

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Record Information

Version

2.0

Created at

2022-09-07 02:16:32 UTC

Updated at

2022-09-07 02:16:32 UTC

NP-MRD ID

NP0242058

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid

Description

3-(2-{[(12,14-Dihydroxy-3-methyl-1,9-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenyl-2,5-dihydrofuran-2-yl)propanoic acid belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. 3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid is found in Talaromyces rugulosus. Based on a literature review very few articles have been published on 3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenyl-2,5-dihydrofuran-2-yl)propanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072204162D          

 42 45  0  0  0  0            999 V2000
    6.2228    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669    2.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906    1.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5347    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0024   -0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6260   -1.2078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4056   -0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0292   -1.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4269   -2.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -1.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2223   -3.1691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2906   -1.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 42  1  0  0  0  0
  2 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072204162D          

 42 45  0  0  0  0            999 V2000
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    5.5992   -0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7551    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196   -0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1960   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0133   -0.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    1.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    2.0328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3519    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1315    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9535    0.8822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874    1.7627    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  1  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  2  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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 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  1  0  0  0  0
 19 21  2  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
  6 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 32 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
  2 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0242058

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCCC(CC(=O)CC2=CC(O)=CC(O)=C2C(=O)O1)OC(=O)C1(CCC(O)=O)OC(=O)C(O)=C1C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H30O12/c1-16-6-5-9-21(14-19(31)12-18-13-20(32)15-22(33)24(18)27(37)40-16)41-29(39)30(11-10-23(34)35)25(26(36)28(38)42-30)17-7-3-2-4-8-17/h2-4,7-8,13,15-16,21,32-33,36H,5-6,9-12,14H2,1H3,(H,34,35)

> <INCHI_KEY>
UCDWMSCIASSXFW-UHFFFAOYSA-N

> <FORMULA>
C30H30O12

> <MOLECULAR_WEIGHT>
582.558

> <EXACT_MASS>
582.173726406

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
57.17192740484286

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenyl-2,5-dihydrofuran-2-yl)propanoic acid

> <JCHEM_LOGP>
4.501321251999999

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.31993294050266

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.8999247358823577

> <JCHEM_PKA_STRONGEST_BASIC>
-3.282182947279791

> <JCHEM_POLAR_SURFACE_AREA>
193.95999999999998

> <JCHEM_REFRACTIVITY>
144.96960000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3H-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      11.616   5.307   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.325   3.794   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.489   2.786   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.198   1.274   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.362   0.266   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.071  -1.246   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      14.235  -2.254   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      15.690  -1.750   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      15.981  -0.238   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      16.855  -2.759   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      15.730  -3.811   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.257  -3.363   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.132  -4.416   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      13.482  -5.916   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      11.659  -3.968   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      17.735  -1.495   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      19.209  -1.943   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      20.437  -1.014   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      19.239  -3.483   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      20.502  -4.364   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      17.784  -3.987   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.336  -5.460   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      18.388  -6.585   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.941  -8.058   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.441  -8.407   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      15.389  -7.283   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.836  -5.810   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.616  -1.750   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.452  -0.742   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      10.743   0.770   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.997  -1.246   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.833  -0.238   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.377  -0.742   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.213   0.266   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       3.758  -0.238   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       5.504   1.778   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.959   2.282   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       7.250   3.794   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       8.124   1.274   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.579   1.778   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      11.113   1.647   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       9.870   3.290   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   42                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   28                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   16   21                                             
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   10   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   10   22                                                  
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22                                                       
CONECT   28    6   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   39                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   32   40                                                  
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40    2                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

View in JSmol

Synonyms

Value	Source
3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenyl-2,5-dihydrofuran-2-yl)propanoate	Generator

Chemical Formula

C₃₀H₃₀O₁₂

Average Mass

582.5580 Da

Monoisotopic Mass

582.17373 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1CCCC(CC(=O)CC2=CC(O)=CC(O)=C2C(=O)O1)OC(=O)C1(CCC(O)=O)OC(=O)C(O)=C1C1=CC=CC=C1

InChI Identifier

InChI=1S/C30H30O12/c1-16-6-5-9-21(14-19(31)12-18-13-20(32)15-22(33)24(18)27(37)40-16)41-29(39)30(11-10-23(34)35)25(26(36)28(38)42-30)17-7-3-2-4-8-17/h2-4,7-8,13,15-16,21,32-33,36H,5-6,9-12,14H2,1H3,(H,34,35)

InChI Key

UCDWMSCIASSXFW-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 rugulosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Macrolide
Dihydroxybenzoic acid
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Fatty acyl
Benzenoid
2-furanone
Monocyclic benzene moiety
Vinylogous acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Dihydrofuran
Cyclic ketone
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Enol
Carboxylic acid
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

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

162815370

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid (NP0242058)

MOL for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)

3D MOL for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)

3D SDF for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)

3D-SDF for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)

PDB for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)

3D PDB for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)

SMILES for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)

INCHI for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)

Structure for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)

3D Structure for NP0242058 (3-(2-{[(12,14-dihydroxy-3-methyl-1,9-dioxo-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecin-7-yl)oxy]carbonyl}-4-hydroxy-5-oxo-3-phenylfuran-2-yl)propanoic acid)