NP-MRD: Showing NP-Card for (+)-Aromin (NP0079422)

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Record Information

Version

2.0

Created at

2022-04-29 00:27:18 UTC

Updated at

2022-04-29 00:27:18 UTC

NP-MRD ID

NP0079422

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Aromin

Description

(5R)-3-{[(2R,5R)-5-[(8R)-8-hydroxy-8-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl}-5-methyl-2,5-dihydrofuran-2-one belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. (+)-Aromin is found in Xylopia aromatica . Based on a literature review very few articles have been published on (5R)-3-{[(2R,5R)-5-[(8R)-8-hydroxy-8-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl}-5-methyl-2,5-dihydrofuran-2-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292202272D          

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M  END

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M  END


  Mrv1652304292202272D          

 42 44  0  0  1  0            999 V2000
   -8.6854   -3.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4923   -3.9202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.9048   -3.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3528   -2.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5991   -2.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8846   -2.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5243   -1.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9112   -1.2336    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9975   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2438   -0.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6918   -0.6907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1043   -1.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8713   -0.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5357    0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0206    0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7152    0.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3797    0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5592    1.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2236    1.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4032    1.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0676    2.6690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5525    3.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2471    2.7552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8346    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277    3.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    2.4777    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6951    2.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269    2.0652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2269    1.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3454    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0599    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7744    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4888    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2033    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9178    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3467    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8279   -4.6739    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  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  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
  8 12  1  0  0  0  0
 11 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 23 21  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  6  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
  2 42  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0079422

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCC(=O)C[C@H]1CC[C@H](CC2=C[C@@H](C)OC2=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C35H60O7/c1-3-4-5-6-7-8-9-10-11-14-17-31(37)33-21-22-34(42-33)32(38)18-15-12-13-16-28(36)25-30-20-19-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3/t26-,29-,30-,31-,32-,33-,34-/m1/s1

> <INCHI_KEY>
WDZXYNFQDMBPPE-KYXDBGHPSA-N

> <FORMULA>
C35H60O7

> <MOLECULAR_WEIGHT>
592.858

> <EXACT_MASS>
592.433904272

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
72.63416008078468

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R)-3-{[(2R,5R)-5-[(8R)-8-hydroxy-8-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl}-5-methyl-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
6.38

> <JCHEM_LOGP>
7.844647944999999

> <ALOGPS_LOGS>
-5.99

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.99430560573306

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.318129730021592

> <JCHEM_PKA_STRONGEST_BASIC>
-3.148664983209411

> <JCHEM_POLAR_SURFACE_AREA>
102.29

> <JCHEM_REFRACTIVITY>
166.3205

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.10e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5R)-3-{[(2R,5R)-5-[(8R)-8-hydroxy-8-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl}-5-methyl-5H-furan-2-one

> <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  O   UNK     0     -16.213  -6.998   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -17.719  -7.318   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -18.489  -5.984   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -17.459  -4.840   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -16.052  -5.466   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0     -14.718  -4.696   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0     -17.779  -3.333   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -16.634  -2.303   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -16.795  -0.771   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -15.388  -0.145   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -14.358  -1.289   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0     -15.128  -2.623   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0     -12.826  -1.128   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -12.200   0.279   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -13.105   1.524   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0     -10.668   0.440   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -10.042   1.846   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -8.511   2.007   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -7.884   3.414   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.353   3.575   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.726   4.982   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -6.631   6.228   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -4.195   5.143   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.425   6.477   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.918   6.157   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.757   4.625   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -3.164   3.999   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.424   3.855   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -0.424   2.315   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       0.910   4.625   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.244   3.855   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.577   4.625   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.911   3.855   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.245   4.625   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.578   3.855   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.912   4.625   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.246   3.855   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      11.579   4.625   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      12.913   3.855   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.247   4.625   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      15.581   3.855   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     -18.345  -8.725   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3   42                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    1    6                                                  
CONECT    6    5                                                            
CONECT    7    4    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11    8                                                       
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26   23                                                       
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42    2                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₆₀O₇

Average Mass

592.8580 Da

Monoisotopic Mass

592.43390 Da

IUPAC Name

(5R)-3-{[(2R,5R)-5-[(8R)-8-hydroxy-8-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl}-5-methyl-2,5-dihydrofuran-2-one

Traditional Name

(5R)-3-{[(2R,5R)-5-[(8R)-8-hydroxy-8-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl}-5-methyl-5H-furan-2-one

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCC(=O)C[C@H]1CC[C@H](CC2=C[C@@H](C)OC2=O)O1

InChI Identifier

InChI=1S/C35H60O7/c1-3-4-5-6-7-8-9-10-11-14-17-31(37)33-21-22-34(42-33)32(38)18-15-12-13-16-28(36)25-30-20-19-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3/t26-,29-,30-,31-,32-,33-,34-/m1/s1

InChI Key

WDZXYNFQDMBPPE-KYXDBGHPSA-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
Xylopia aromatica	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Long-chain fatty alcohols

Alternative Parents

Substituents

Long chain fatty alcohol
2-furanone
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Dihydrofuran
Secondary alcohol
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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	6.38	ALOGPS
logP	7.84	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	13.32	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	102.29 Å²	ChemAxon
Rotatable Bond Count	23	ChemAxon
Refractivity	166.32 m³·mol⁻¹	ChemAxon
Polarizability	72.63 Å³	ChemAxon
Number of Rings	3	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

163095096

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (+)-Aromin (NP0079422)

MOL for NP0079422 ((+)-Aromin)

3D MOL for NP0079422 ((+)-Aromin)

3D SDF for NP0079422 ((+)-Aromin)

3D-SDF for NP0079422 ((+)-Aromin)

PDB for NP0079422 ((+)-Aromin)

3D PDB for NP0079422 ((+)-Aromin)

SMILES for NP0079422 ((+)-Aromin)

INCHI for NP0079422 ((+)-Aromin)

Structure for NP0079422 ((+)-Aromin)

3D Structure for NP0079422 ((+)-Aromin)