NP-MRD: Showing NP-Card for Koaburaside (NP0073593)

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Record Information

Version

2.0

Created at

2022-04-28 18:48:47 UTC

Updated at

2022-04-28 18:48:47 UTC

NP-MRD ID

NP0073593

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Koaburaside

Description

(2S,3R,4S,5R,6R)-2-(4-hydroxy-3,5-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Koaburaside is found in Acer saccharum, Aeschynanthus bracteatus , Ailanthus integrifolia, Canthium berberidifolium, Capparis flavicans, Castanopsis fissa, Embelia ribes, Eucommia ulmoides , Eurycorymbus cavaleriei, Iodes cirrhosa, Laguncularia racemosa, Picrasma quassioides and Semiarundinaria fastuosa. Based on a literature review very few articles have been published on (2S,3R,4S,5R,6R)-2-(4-hydroxy-3,5-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -2.4051    2.7815    1.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3571    1.8122    1.5794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186    0.6560    0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6944    0.4007    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3089   -0.7396   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0275   -1.0438   -0.3993 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0595   -0.2491   -0.1419 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6895    0.1622   -1.3462 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    1.1251   -0.9502 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9892    2.0558   -2.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9086    2.9807   -1.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8011    0.3782   -0.3883 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0946   -0.6866   -1.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369   -0.2556    0.9112 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3206   -1.1526    1.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508   -0.9884    0.7379 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4407   -1.0539    2.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2942   -1.6569   -0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6123   -1.4342   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5972   -2.3741   -0.4295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2084   -3.5553   -1.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9721   -0.2653    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3205   -0.0931    0.8689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7282    2.4229    2.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9117    3.6883    2.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7889    3.0358    1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9752    1.1644    0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543    0.6982    0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762    1.7256   -0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0752    2.5967   -2.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3995    1.5332   -2.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6881    3.3628   -0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6516    1.0406   -0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9237   -0.4737   -1.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2465    0.5544    1.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222   -1.3664    2.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838   -2.0278    0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4832   -1.2344    1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0482   -2.5862   -0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0836   -4.2420   -1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3989   -4.0944   -0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8293   -3.3536   -2.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6320    0.7517    1.3561 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  7 28  1  1
  9 29  1  1
 10 30  1  0
 10 31  1  0
 11 32  1  0
 12 33  1  1
 13 34  1  0
 14 35  1  1
 15 36  1  0
 16 37  1  6
 17 38  1  0
 18 39  1  0
 21 40  1  0
 21 41  1  0
 21 42  1  0
 23 43  1  0
M  END


  Mrv1652304282220482D          

 23 24  0  0  1  0            999 V2000
    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  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    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
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 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
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  1  0  0  0
 17 20  1  6  0  0  0
 16 21  1  6  0  0  0
 15 22  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0073593

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H20O9/c1-20-7-3-6(4-8(21-2)10(7)16)22-14-13(19)12(18)11(17)9(5-15)23-14/h3-4,9,11-19H,5H2,1-2H3/t9-,11+,12+,13-,14-/m1/s1

> <INCHI_KEY>
SWHCKWOYUSDWOF-FYGCWZCISA-N

> <FORMULA>
C14H20O9

> <MOLECULAR_WEIGHT>
332.305

> <EXACT_MASS>
332.110732224

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.55068800776786

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R,6R)-2-(4-hydroxy-3,5-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.90

> <JCHEM_LOGP>
-1.2172954520000003

> <ALOGPS_LOGS>
-1.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.201288605201396

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.668810853403247

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923437587418

> <JCHEM_POLAR_SURFACE_AREA>
138.07000000000002

> <JCHEM_REFRACTIVITY>
75.0906

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.47e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5R,6R)-2-(4-hydroxy-3,5-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <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       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       9.336 -11.550   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   12                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    5                                                            
CONECT   10    4   11                                                       
CONECT   11   10                                                            
CONECT   12    2   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   22                                                  
CONECT   16   15   17   21                                                  
CONECT   17   16   18   20                                                  
CONECT   18   17   13   19                                                  
CONECT   19   18                                                            
CONECT   20   17                                                            
CONECT   21   16                                                            
CONECT   22   15   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₂₀O₉

Average Mass

332.3050 Da

Monoisotopic Mass

332.11073 Da

IUPAC Name

(2S,3R,4S,5R,6R)-2-(4-hydroxy-3,5-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

(2S,3R,4S,5R,6R)-2-(4-hydroxy-3,5-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

COC1=CC(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1O

InChI Identifier

InChI=1S/C14H20O9/c1-20-7-3-6(4-8(21-2)10(7)16)22-14-13(19)12(18)11(17)9(5-15)23-14/h3-4,9,11-19H,5H2,1-2H3/t9-,11+,12+,13-,14-/m1/s1

InChI Key

SWHCKWOYUSDWOF-FYGCWZCISA-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
Acer saccharum	LOTUS Database	35616633
Aeschynanthus bracteatus	Plant	KNApSAcK
Ailanthus integrifolia	Plant	KNApSAcK
Canthium berberidifolium	Plant	KNApSAcK
Capparis flavicans	Plant	KNApSAcK
Castanopsis fissa	LOTUS Database	35616633
Embelia ribes	LOTUS Database	35616633
Eucommia ulmoides	Plant	KNApSAcK
Eurycorymbus cavaleriei	LOTUS Database	35616633
Iodes cirrhosa	LOTUS Database	35616633
Laguncularia racemosa	LOTUS Database	35616633
Picrasma quassioides	LOTUS Database	35616633
Semiarundinaria fastuosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Hexose monosaccharide
O-glycosyl compound
M-dimethoxybenzene
Dimethoxybenzene
Methoxyphenol
4-alkoxyphenol
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Phenol
Alkyl aryl ether
Benzenoid
Oxane
Monosaccharide
Monocyclic benzene moiety
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	-0.9	ALOGPS
logP	-1.2	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	9.67	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	138.07 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	75.09 m³·mol⁻¹	ChemAxon
Polarizability	31.55 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

160955167

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Koaburaside (NP0073593)

MOL for NP0073593 (Koaburaside)

3D MOL for NP0073593 (Koaburaside)

3D SDF for NP0073593 (Koaburaside)

3D-SDF for NP0073593 (Koaburaside)

PDB for NP0073593 (Koaburaside)

3D PDB for NP0073593 (Koaburaside)

SMILES for NP0073593 (Koaburaside)

INCHI for NP0073593 (Koaburaside)

Structure for NP0073593 (Koaburaside)

3D Structure for NP0073593 (Koaburaside)