NP-MRD: Showing NP-Card for (+)-(R)-Edulinine (NP0068473)

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Record Information

Version

2.0

Created at

2022-04-28 13:42:19 UTC

Updated at

2022-04-28 13:42:19 UTC

NP-MRD ID

NP0068473

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-(R)-Edulinine

Description

Edulinine belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. (+)-(R)-Edulinine is found in Amyris diatrypa, Boronella pancheri, Casimiroa edulis Llave et Lejarza , Citrus macroptera , Dutaillyea drupacea, Euodia gracilis, Haplophyllum foliosum, Haplophyllum patavinum, Melicope semecarpifolia, Orixa japonica , Ruta graveolens , Teclea simplicifolia , Teclea nobilis , Zanthoxylum mayu, Zanthoxylum simulans, Zanthoxylum usambarense and Zanthoxylum williamsii. (+)-(R)-Edulinine was first documented in 2017 (PMID: 28740540). Based on a literature review very few articles have been published on Edulinine (PMID: 35164367).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    0.2450   -3.0708   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3035   -2.0199    0.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -0.8135    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351    0.2656   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061    0.2013   -0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0788    0.2586    0.5706 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8106    1.4829    1.2275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5349    0.1131    0.2760 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9028   -1.2290   -0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0894    1.1973   -0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1990    0.1908    1.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9485    1.4364   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3117    2.4325   -0.9532 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    1.5918   -0.1840 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    2.8525   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858    0.5271    0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2298    0.6584    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9072   -0.4353    1.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736   -1.6334    1.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9467   -1.7456    1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510   -0.6676    0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4502   -2.8720   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359   -3.2957   -0.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680   -4.0064    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4033    1.0514   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -0.7201   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7758   -0.5396    1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6168    2.0364    1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9371   -1.1028   -0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966   -1.5823   -1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9952   -1.9432    0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1356    1.3913   -0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1485    0.8674   -1.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4863    2.1278   -0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4516    1.1598    1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8553    2.7774   -0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2364    3.5099   -0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0502    3.4014    0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7334    1.6056    0.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9719   -0.3047    1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7987   -2.4795    1.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040   -2.6755    1.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  1
  4 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 16  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  0
  9 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
 10 34  1  0
 11 35  1  0
 15 36  1  0
 15 37  1  0
 15 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
M  END


  Mrv1652304282215432D          

 21 22  0  0  1  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  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  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  6  0  0  0
  7 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0068473

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(C[C@@H](O)C(C)(C)O)C(=O)N(C)C2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3/t13-/m1/s1

> <INCHI_KEY>
NHNXJYYEQLVCAZ-CYBMUJFWSA-N

> <FORMULA>
C16H21NO4

> <MOLECULAR_WEIGHT>
291.347

> <EXACT_MASS>
291.14705816

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
31.24244145402858

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methyl-1,2-dihydroquinolin-2-one

> <ALOGPS_LOGP>
1.00

> <JCHEM_LOGP>
0.29074618933333274

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.2875600774823

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.778696703836346

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6762068988447222

> <JCHEM_POLAR_SURFACE_AREA>
70.0

> <JCHEM_REFRACTIVITY>
80.94490000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.53e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one

> <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       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       2.667  -0.000   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.335  -0.000   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.002  -6.160   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.898  -6.724   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.438  -4.056   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8   21                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   14                                                  
CONECT   11   10    5   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   10   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16                                                            
CONECT   20   15                                                            
CONECT   21    7                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₁NO₄

Average Mass

291.3470 Da

Monoisotopic Mass

291.14706 Da

IUPAC Name

3-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methyl-1,2-dihydroquinolin-2-one

Traditional Name

3-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one

CAS Registry Number

Not Available

SMILES

COC1=C(C[C@@H](O)C(C)(C)O)C(=O)N(C)C2=CC=CC=C12

InChI Identifier

InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3/t13-/m1/s1

InChI Key

NHNXJYYEQLVCAZ-CYBMUJFWSA-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
Amyris diatrypa	Plant	KNApSAcK
Boronella pancheri	Plant	KNApSAcK
Casimiroa edulis Llave et Lejarza	Plant	KNApSAcK
Citrus macroptera	Plant	KNApSAcK
Dutaillyea drupacea	Plant	KNApSAcK
Euodia gracilis	Plant	KNApSAcK
Haplophyllum foliosum	Plant	KNApSAcK
Haplophyllum patavinum	Plant	KNApSAcK
Melicope semecarpifolia	Plant	KNApSAcK
Orixa japonica	Plant	KNApSAcK
Ruta graveolens	Plant	KNApSAcK
Teclea simplicifolia	Plant	KNApSAcK
Vepris nobilis	Plant	KNApSAcK
Zanthoxylum mayu	Plant	KNApSAcK
Zanthoxylum simulans	Plant	KNApSAcK
Zanthoxylum usambarense	Plant	KNApSAcK
Zanthoxylum williamsii	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Quinolones and derivatives

Direct Parent

Hydroquinolones

Alternative Parents

Substituents

Dihydroquinolone
Dihydroquinoline
Alkyl aryl ether
Pyridinone
Benzenoid
Pyridine
Heteroaromatic compound
Vinylogous ester
Tertiary alcohol
1,2-diol
Lactam
Secondary alcohol
Ether
Azacycle
Organonitrogen compound
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
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
logP	1	ALOGPS
logP	0.29	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	13.78	ChemAxon
pKa (Strongest Basic)	-0.68	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	70 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	80.94 m³·mol⁻¹	ChemAxon
Polarizability	31.24 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

C00026346

Chemspider ID

141914

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

161570

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Noulala CGT, Ouete JLN, Atangana AF, Mbahbou GTB, Fotso GW, Stammler HG, Lenta BN, Happi EN, Sewald N, Ngadjui BT: Soyauxinine, a New Indolopyridoquinazoline Alkaloid from the Stem Bark of Araliopsis soyauxii Engl. (Rutaceae). Molecules. 2022 Feb 7;27(3). pii: molecules27031104. doi: 10.3390/molecules27031104. [PubMed:35164367 ]
Aktar K, Foyzun T: Phytochemistry and Pharmacological Studies of Citrus macroptera: A Medicinal Plant Review. Evid Based Complement Alternat Med. 2017;2017:9789802. doi: 10.1155/2017/9789802. Epub 2017 Jun 27. [PubMed:28740540 ]

Showing NP-Card for (+)-(R)-Edulinine (NP0068473)

MOL for NP0068473 ((+)-(R)-Edulinine)

3D MOL for NP0068473 ((+)-(R)-Edulinine)

3D SDF for NP0068473 ((+)-(R)-Edulinine)

3D-SDF for NP0068473 ((+)-(R)-Edulinine)

PDB for NP0068473 ((+)-(R)-Edulinine)

3D PDB for NP0068473 ((+)-(R)-Edulinine)

SMILES for NP0068473 ((+)-(R)-Edulinine)

INCHI for NP0068473 ((+)-(R)-Edulinine)

Structure for NP0068473 ((+)-(R)-Edulinine)

3D Structure for NP0068473 ((+)-(R)-Edulinine)