NP-MRD: Showing NP-Card for Areptin A (NP0077518)

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Record Information

Version

2.0

Created at

2022-04-28 22:39:30 UTC

Updated at

2022-04-28 22:39:30 UTC

NP-MRD ID

NP0077518

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Areptin A

Description

(1R,2S,3R,4S,4aR,5S,6R,8S,8aR)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-4-hydroxy-5,6-dimethyl-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-2-yl (2S)-2-methylbutanoate belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Areptin A is found in Ajuga reptans . Based on a literature review very few articles have been published on (1R,2S,3R,4S,4aR,5S,6R,8S,8aR)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-4-hydroxy-5,6-dimethyl-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-2-yl (2S)-2-methylbutanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292200392D          

 43 47  0  0  1  0            999 V2000
    4.2624    0.5670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652304292200392D          

 43 47  0  0  1  0            999 V2000
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    5.0206   -1.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4982   -1.8169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1796   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2160   -1.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554   -1.1811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1494   -1.3572    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5939   -0.7473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8444    0.0388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0584    0.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6684    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -0.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2325   -0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830    0.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5735   -0.4894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8240   -1.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1290    0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350   -0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989   -2.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544   -2.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2039   -3.5393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2604   -2.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5109   -1.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5596    1.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8040    1.3662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7131    2.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778    2.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9576    2.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3455    1.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960    2.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5051    3.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4019    2.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0684    0.7431    0.0000 C   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
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
  7 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  1  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 16 33  1  6  0  0  0
  4 34  1  1  0  0  0
 34 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
  3 39  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
  1 43  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0077518

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](O)[C@@H]2[C@@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]11CO1

> <INCHI_IDENTIFIER>
InChI=1S/C31H46O12/c1-8-15(2)27(36)43-26-24(41-19(6)34)23(35)25-29(7,21-12-20-9-10-37-28(20)42-21)16(3)11-22(40-18(5)33)30(25,13-38-17(4)32)31(26)14-39-31/h15-16,20-26,28,35H,8-14H2,1-7H3/t15-,16+,20+,21-,22-,23+,24+,25+,26-,28-,29+,30+,31+/m0/s1

> <INCHI_KEY>
MMLPTCVXPCYZCP-SCRIRCRTSA-N

> <FORMULA>
C31H46O12

> <MOLECULAR_WEIGHT>
610.697

> <EXACT_MASS>
610.298926921

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
63.61167070710479

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,3R,4S,4aR,5S,6R,8S,8aR)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-4-hydroxy-5,6-dimethyl-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-2-yl (2S)-2-methylbutanoate

> <ALOGPS_LOGP>
2.71

> <JCHEM_LOGP>
1.6837180226666648

> <ALOGPS_LOGS>
-4.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.787699838799938

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3290600905089063

> <JCHEM_POLAR_SURFACE_AREA>
156.42

> <JCHEM_REFRACTIVITY>
146.3572

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.70e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,3R,4S,4aR,5S,6R,8S,8aR)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-4-hydroxy-5,6-dimethyl-hexahydro-2H-spiro[naphthalene-1,2'-oxirane]-2-yl (2S)-2-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0       7.957   1.058   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.920   2.197   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.415   1.868   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.947   0.401   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.984  -0.737   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.489  -0.409   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.939  -0.927   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.211  -0.059   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.430  -1.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.911  -2.450   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.372  -2.405   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      12.130  -3.392   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      13.402  -2.523   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.969  -1.045   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.870  -1.901   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.517  -2.205   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.012  -2.533   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.975  -1.395   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.443   0.072   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.976   0.540   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.114   1.577   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.471  -1.724   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.434  -0.585   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.902   0.882   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -1.071  -0.914   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.538  -2.381   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.107   0.225   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.612  -0.104   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       3.545  -4.001   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.582  -5.139   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.114  -6.607   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.086  -4.811   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.554  -3.343   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       4.778   1.932   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       3.367   2.550   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       3.198   4.081   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       4.439   4.993   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       1.787   4.699   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.378   3.007   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.846   4.474   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.676   6.005   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       6.350   4.803   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.461   1.387   0.000  0.00  0.00           C+0
CONECT    1    2    6   43                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   39                                                  
CONECT    4    3    5   19   34                                             
CONECT    5    4    6   16                                                  
CONECT    6    5    1    7   15                                             
CONECT    7    6    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    7                                                       
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9                                                       
CONECT   15    6                                                            
CONECT   16    5   17   33                                                  
CONECT   17   16   18   29                                                  
CONECT   18   17   19   22                                                  
CONECT   19   18    4   20   21                                             
CONECT   20   19   21                                                       
CONECT   21   20   19                                                       
CONECT   22   18   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27                                                            
CONECT   29   17   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   16                                                            
CONECT   34    4   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39    3   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
CONECT   43    1                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

View in JSmol

Synonyms

Value	Source
(1R,2S,3R,4S,4AR,5S,6R,8S,8ar)-5-[(2S,3ar,6as)-hexahydrofuro[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-4-hydroxy-5,6-dimethyl-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-2-yl (2S)-2-methylbutanoic acid	Generator

Chemical Formula

C₃₁H₄₆O₁₂

Average Mass

610.6970 Da

Monoisotopic Mass

610.29893 Da

IUPAC Name

Traditional Name

(1R,2S,3R,4S,4aR,5S,6R,8S,8aR)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-4-hydroxy-5,6-dimethyl-hexahydro-2H-spiro[naphthalene-1,2'-oxirane]-2-yl (2S)-2-methylbutanoate

CAS Registry Number

Not Available

SMILES

CC[C@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](O)[C@@H]2[C@@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]11CO1

InChI Identifier

InChI=1S/C31H46O12/c1-8-15(2)27(36)43-26-24(41-19(6)34)23(35)25-29(7,21-12-20-9-10-37-28(20)42-21)16(3)11-22(40-18(5)33)30(25,13-38-17(4)32)31(26)14-39-31/h15-16,20-26,28,35H,8-14H2,1-7H3/t15-,16+,20+,21-,22-,23+,24+,25+,26-,28-,29+,30+,31+/m0/s1

InChI Key

MMLPTCVXPCYZCP-SCRIRCRTSA-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
Ajuga reptans	Plant	KNApSAcK

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tetracarboxylic acids and derivatives

Direct Parent

Tetracarboxylic acids and derivatives

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Furofuran
Fatty acid ester
Fatty acyl
Tetrahydrofuran
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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	2.71	ALOGPS
logP	1.68	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	13.79	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	156.42 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	146.36 m³·mol⁻¹	ChemAxon
Polarizability	63.61 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

163003888

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Areptin A (NP0077518)

MOL for NP0077518 (Areptin A)

3D MOL for NP0077518 (Areptin A)

3D SDF for NP0077518 (Areptin A)

3D-SDF for NP0077518 (Areptin A)

PDB for NP0077518 (Areptin A)

3D PDB for NP0077518 (Areptin A)

SMILES for NP0077518 (Areptin A)

INCHI for NP0077518 (Areptin A)

Structure for NP0077518 (Areptin A)

3D Structure for NP0077518 (Areptin A)