NP-MRD: Showing NP-Card for Nemoralisin (NP0139233)

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Record Information

Version

2.0

Created at

2022-06-29 19:45:11 UTC

Updated at

2022-06-29 19:45:11 UTC

NP-MRD ID

NP0139233

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Nemoralisin

Description

NEMORALISIN belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Nemoralisin is found in Aphanamixis polystachya and Trivalvaria costata. NEMORALISIN is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 53  0  0  0  0  0  0  0  0999 V2000
    6.6966    1.5063   -1.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0968    0.3820   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8381   -0.0664    0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3139   -1.1529    1.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9975   -1.6049    2.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0608   -1.6506    0.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4452   -1.4576   -0.2743 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0005   -1.7022   -0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1909   -1.0101    0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    0.1497    1.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7532   -1.3703    0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1123   -0.1956    0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -0.5719    0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4421    0.5710   -0.1419 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1541    0.9634   -1.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8661    0.3331    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3635   -0.7451    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8240   -0.5756    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6307   -1.3344    1.3364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1399    0.6303   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0594    1.5493    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6846    0.2267   -1.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8742    1.2265   -0.2236 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7631   -0.1165   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7606    1.3212   -1.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6547    2.4522   -0.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1406    1.6449   -2.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8312    0.3639    0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567   -2.2411   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746   -2.5526   -0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761    0.1598    2.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3155    1.1167    0.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405    0.1353    1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4998   -2.2896    0.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4328   -1.5633    1.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129    0.6972    0.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1959    0.0047   -0.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7190   -1.4952   -0.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7949   -0.8014    1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1471    1.4575    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1245    0.8454   -2.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    0.2761   -2.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8705    2.0221   -1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8834   -1.6367    1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8484    0.9477    1.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4345    2.3086   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4279    2.0771    1.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7749    0.3357   -1.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3810   -0.8138   -1.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2428    0.8876   -2.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7850   -0.2281   -2.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368    0.5839   -0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11  9  1  0
  9 10  1  0
  9  8  2  0
  8  7  1  0
  7 24  1  0
 24  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
  6  7  1  0
 23 16  1  0
 15 41  1  0
 15 42  1  0
 15 43  1  0
 14 40  1  1
 13 38  1  0
 13 39  1  0
 12 36  1  0
 12 37  1  0
 11 34  1  0
 11 35  1  0
 10 31  1  0
 10 32  1  0
 10 33  1  0
  8 30  1  0
  7 29  1  6
 24 51  1  0
 24 52  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
 17 44  1  0
 21 45  1  0
 21 46  1  0
 21 47  1  0
 22 48  1  0
 22 49  1  0
 22 50  1  0
M  END


  Mrv1533004171509452D          

 24 25  0  0  0  0            999 V2000
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392   -4.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912   -3.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4117   -3.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1787   -2.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9324   -2.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0762   -1.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282   -2.8920    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  2  0  0  0  0
  7  8  1  4  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0139233

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(CCCC(C)=CC1CC(C)=CC(=O)O1)C1=CC(=O)C(C)(C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O4/c1-13(9-16-10-14(2)11-19(22)23-16)7-6-8-15(3)17-12-18(21)20(4,5)24-17/h9,11-12,15-16H,6-8,10H2,1-5H3

> <INCHI_KEY>
AVYLUTSPDMUJIF-UHFFFAOYSA-N

> <FORMULA>
C20H28O4

> <MOLECULAR_WEIGHT>
332.44

> <EXACT_MASS>
332.198759382

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
37.16264526923213

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-[6-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-2-methylhept-1-en-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-one

> <ALOGPS_LOGP>
4.87

> <JCHEM_LOGP>
4.51817547

> <ALOGPS_LOGS>
-4.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.79085401794537

> <JCHEM_PKA_STRONGEST_BASIC>
-4.854321626056914

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
96.9058

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.67e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[6-(5,5-dimethyl-4-oxofuran-2-yl)-2-methylhept-1-en-1-yl]-4-methyl-5,6-dihydropyran-2-one

> <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       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      12.003 -11.550   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.073  -7.556   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.104  -6.412   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -2.635  -6.573   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.334  -5.078   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.741  -4.452   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.142  -3.614   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.173  -5.398   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   16                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    8                                                       
CONECT   15   10                                                            
CONECT   16    6                                                            
CONECT   17    2   18   24                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21   17                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₈O₄

Average Mass

332.4400 Da

Monoisotopic Mass

332.19876 Da

IUPAC Name

6-[6-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-2-methylhept-1-en-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-one

Traditional Name

6-[6-(5,5-dimethyl-4-oxofuran-2-yl)-2-methylhept-1-en-1-yl]-4-methyl-5,6-dihydropyran-2-one

CAS Registry Number

Not Available

SMILES

CC(CCCC(C)=CC1CC(C)=CC(=O)O1)C1=CC(=O)C(C)(C)O1

InChI Identifier

InChI=1S/C20H28O4/c1-13(9-16-10-14(2)11-19(22)23-16)7-6-8-15(3)17-12-18(21)20(4,5)24-17/h9,11-12,15-16H,6-8,10H2,1-5H3

InChI Key

AVYLUTSPDMUJIF-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
Aphanamixis polystachya	LOTUS Database	35616633
Trivalvaria costata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrans

Sub Class

Pyranones and derivatives

Direct Parent

Dihydropyranones

Alternative Parents

Substituents

Dihydropyranone
3-furanone
Dihydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Vinylogous ester
Cyclic ketone
Lactone
Ketone
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Oxacycle
Carbonyl group
Organooxygen compound
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	4.87	ALOGPS
logP	4.52	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	17.79	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	96.91 m³·mol⁻¹	ChemAxon
Polarizability	37.16 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

124222284

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Nemoralisin (NP0139233)

MOL for NP0139233 (Nemoralisin)

3D MOL for NP0139233 (Nemoralisin)

3D SDF for NP0139233 (Nemoralisin)

3D-SDF for NP0139233 (Nemoralisin)

PDB for NP0139233 (Nemoralisin)

3D PDB for NP0139233 (Nemoralisin)

SMILES for NP0139233 (Nemoralisin)

INCHI for NP0139233 (Nemoralisin)

Structure for NP0139233 (Nemoralisin)

3D Structure for NP0139233 (Nemoralisin)