NP-MRD: Showing NP-Card for (+)-Frajunolide G (NP0076565)

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Record Information

Version

2.0

Created at

2022-04-28 21:45:26 UTC

Updated at

2022-04-28 21:45:26 UTC

NP-MRD ID

NP0076565

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Frajunolide G

Description

2-[(1'R,2R,2'S,3'S,7'S,8'R,9'S,11'S,13'S,14'R,17'R)-2',7'-bis(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]Octadecane]-9'-yloxy]-2-oxoethyl (2S)-2-methylbutanoate belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. (+)-Frajunolide G is found in Junceella fragilis. Based on a literature review very few articles have been published on 2-[(1'R,2R,2'S,3'S,7'S,8'R,9'S,11'S,13'S,14'R,17'R)-2',7'-bis(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]Octadecane]-9'-yloxy]-2-oxoethyl (2S)-2-methylbutanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282223452D          

 44 48  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652304282223452D          

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   -5.7423    4.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5672    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2457    3.5499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0701    3.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6566    3.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2605    2.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8475    3.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6431    2.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5423    3.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4981    1.5005    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2093    0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3956    0.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8707    1.2279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0571    1.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7683    0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546    0.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932   -0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2709    1.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1346    2.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3672    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7747    2.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0602    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0602    3.3334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3687    2.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976    2.5084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7976    3.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5121    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2266    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9807    6.0078    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  1  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 15  1  0  0  0  0
 15 16  1  1  0  0  0
 10 17  1  1  0  0  0
  4 17  1  6  0  0  0
  9 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 22 31  1  1  0  0  0
  7 32  1  6  0  0  0
  6 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
  1 44  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0076565

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H](C)C(=O)OCC(=O)O[C@H]1C[C@@H]2O[C@]3([C@@H](C)C(=O)O[C@H]3[C@@H](Cl)C2=C)[C@@H](OC(C)=O)[C@H]2[C@@]3(CO3)CC[C@H](OC(C)=O)[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C31H41ClO12/c1-8-14(2)27(36)38-12-22(35)42-21-11-19-15(3)23(32)25-31(44-19,16(4)28(37)43-25)26(41-18(6)34)24-29(21,7)20(40-17(5)33)9-10-30(24)13-39-30/h14,16,19-21,23-26H,3,8-13H2,1-2,4-7H3/t14-,16-,19-,20-,21-,23-,24+,25-,26-,29+,30-,31-/m0/s1

> <INCHI_KEY>
SUKCFMZLAMJTJM-BYVJBQGVSA-N

> <FORMULA>
C31H41ClO12

> <MOLECULAR_WEIGHT>
641.11

> <EXACT_MASS>
640.2286545

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
63.845061902990395

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1'R,2R,2'S,3'S,7'S,8'R,9'S,11'S,13'S,14'R,17'R)-2',7'-bis(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0^{1,14}.0^{3,8}]octadecane]-9'-yloxy]-2-oxoethyl (2S)-2-methylbutanoate

> <ALOGPS_LOGP>
3.48

> <JCHEM_LOGP>
2.589831759666666

> <ALOGPS_LOGS>
-4.40

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9300682086141667

> <JCHEM_POLAR_SURFACE_AREA>
153.26

> <JCHEM_REFRACTIVITY>
148.98399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.55e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(1'R,2R,2'S,3'S,7'S,8'R,9'S,11'S,13'S,14'R,17'R)-2',7'-bis(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0^{1,14}.0^{3,8}]octadecane]-9'-yloxy]-2-oxoethyl (2S)-2-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -7.162   9.698   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.700   9.113   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.510  10.091   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.403   7.538   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.450   6.248   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.646   4.682   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.898   3.735   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.417   3.989   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -8.335   5.318   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -8.221   6.987   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -8.357   8.627   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -9.826   9.128   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0     -10.719   7.875   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0     -12.259   7.861   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -9.792   6.627   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -11.331   6.687   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -6.826   7.160   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -9.820   4.910   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0     -10.915   5.991   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0     -12.400   5.583   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0     -12.212   6.822   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -8.396   2.801   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -7.857   1.358   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.338   1.104   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.359   2.292   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -3.840   2.038   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -3.301   0.595   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.782   0.341   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.281  -0.593   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -9.839   2.262   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -9.585   3.781   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -4.419   3.305   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -3.313   3.912   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -1.979   4.682   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -1.979   6.222   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -0.645   3.912   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       0.688   4.682   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.022   3.912   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.022   2.372   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       3.356   4.682   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.356   6.222   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.689   3.912   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       6.023   4.682   0.000  0.00  0.00           C+0
HETATM   44 Cl   UNK     0      -7.431  11.215   0.000  0.00  0.00          Cl+0
CONECT    1    2   11   44                                                  
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   17                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   33                                                  
CONECT    7    6    8   25   32                                             
CONECT    8    7    9   22                                                  
CONECT    9    8   10   18                                                  
CONECT   10    9   11   15   17                                             
CONECT   11   10    1   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   10   16                                                  
CONECT   16   15                                                            
CONECT   17   10    4                                                       
CONECT   18    9   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    8   23   30   31                                             
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24    7   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   22   31                                                       
CONECT   31   30   22                                                       
CONECT   32    7                                                            
CONECT   33    6   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42                                                            
CONECT   44    1                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

View in JSmol

Synonyms

Value	Source
2-[(1'r,2R,2's,3's,7's,8'r,9's,11's,13's,14'r,17'r)-2',7'-Bis(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0,.0,]octadecane]-9'-yloxy]-2-oxoethyl (2S)-2-methylbutanoic acid	Generator

Chemical Formula

C₃₁H₄₁ClO₁₂

Average Mass

641.1100 Da

Monoisotopic Mass

640.22865 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC[C@H](C)C(=O)OCC(=O)O[C@H]1C[C@@H]2O[C@]3([C@@H](C)C(=O)O[C@H]3[C@@H](Cl)C2=C)[C@@H](OC(C)=O)[C@H]2[C@@]3(CO3)CC[C@H](OC(C)=O)[C@]12C

InChI Identifier

InChI=1S/C31H41ClO12/c1-8-14(2)27(36)38-12-22(35)42-21-11-19-15(3)23(32)25-31(44-19,16(4)28(37)43-25)26(41-18(6)34)24-29(21,7)20(40-17(5)33)9-10-30(24)13-39-30/h14,16,19-21,23-26H,3,8-13H2,1-2,4-7H3/t14-,16-,19-,20-,21-,23-,24+,25-,26-,29+,30-,31-/m0/s1

InChI Key

SUKCFMZLAMJTJM-BYVJBQGVSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Junceella fragilis	LOTUS Database	35616633

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Pentacarboxylic acids and derivatives

Direct Parent

Pentacarboxylic acids and derivatives

Alternative Parents

Substituents

Pentacarboxylic acid or derivatives
Furopyran
Fatty acid ester
Fatty acyl
Pyran
Oxane
Gamma butyrolactone
Tetrahydrofuran
Furan
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organochloride
Organohalogen compound
Carbonyl group
Alkyl halide
Alkyl chloride
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	3.48	ALOGPS
logP	2.59	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	153.26 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	148.98 m³·mol⁻¹	ChemAxon
Polarizability	63.85 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	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

163106044

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (+)-Frajunolide G (NP0076565)

MOL for NP0076565 ((+)-Frajunolide G)

3D MOL for NP0076565 ((+)-Frajunolide G)

3D SDF for NP0076565 ((+)-Frajunolide G)

3D-SDF for NP0076565 ((+)-Frajunolide G)

PDB for NP0076565 ((+)-Frajunolide G)

3D PDB for NP0076565 ((+)-Frajunolide G)

SMILES for NP0076565 ((+)-Frajunolide G)

INCHI for NP0076565 ((+)-Frajunolide G)

Structure for NP0076565 ((+)-Frajunolide G)

3D Structure for NP0076565 ((+)-Frajunolide G)