NP-MRD: Showing NP-Card for 3'-Dehydrouriolide (NP0065828)

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Record Information

Version

2.0

Created at

2022-04-28 10:01:50 UTC

Updated at

2022-04-28 10:01:50 UTC

NP-MRD ID

NP0065828

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3'-Dehydrouriolide

Description

3'-Dehydrouriolide belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Thus, 3'-dehydrouriolide is considered to be an isoprenoid. 3'-Dehydrouriolide is found in Bathycoccus prasinos. Based on a literature review very few articles have been published on 3'-dehydrouriolide.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282212012D          

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M  END

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M  END


  Mrv1652304282212012D          

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    1.0164    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   10.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7065   11.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202   12.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2877   12.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2014   13.4342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4478   13.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3615   14.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0290   15.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9427   15.8956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7826   14.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8689   13.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   13.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0861   13.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308   13.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209   10.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746   11.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2494   10.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    2.1434    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  1  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   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561    1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307    1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  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
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  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  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 17 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 15 32  1  0  0  0  0
 13 33  1  0  0  0  0
  8 34  1  0  0  0  0
  4 35  1  0  0  0  0
  1 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
  1 40  1  0  0  0  0
 40 41  1  0  0  0  0
  1 41  1  0  0  0  0
 40 42  1  6  0  0  0
 38 43  1  6  0  0  0
 36 44  1  0  0  0  0
 36 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0065828

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C/C=C/C=C(\C)/C=C1\OC(=O)C(CC[C@H]2C(C)=CC(=O)CC2(C)C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C40H52O5/c1-27(15-12-16-28(2)19-20-40-38(7,8)25-33(42)26-39(40,9)45-40)13-10-11-14-29(3)21-34-23-31(36(43)44-34)17-18-35-30(4)22-32(41)24-37(35,5)6/h10-16,19-23,33,35,42H,17-18,24-26H2,1-9H3/b11-10+,15-12+,20-19+,27-13+,28-16+,29-14+,34-21-/t33-,35-,39+,40-/m0/s1

> <INCHI_KEY>
NGKSEVYOCARGLQ-KFNUOSPMSA-N

> <FORMULA>
C40H52O5

> <MOLECULAR_WEIGHT>
612.851

> <EXACT_MASS>
612.381474774

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
73.89238219085829

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5Z)-5-[(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaen-1-ylidene]-3-{2-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]ethyl}-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
7.78

> <JCHEM_LOGP>
7.665229051333336

> <ALOGPS_LOGS>
-6.14

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.139684034106125

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7377022034819802

> <JCHEM_POLAR_SURFACE_AREA>
76.13000000000001

> <JCHEM_REFRACTIVITY>
191.85480000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.41e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5Z)-5-[(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaen-1-ylidene]-3-{2-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]ethyl}furan-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       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.897   1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   2.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.897   4.001   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   5.335   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.897   6.668   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   8.002   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.897   9.336   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  10.669   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.897  12.003   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  13.337   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.897  14.670   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  16.004   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.897  17.338   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  18.672   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.041  20.078   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.185  21.109   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.024  22.640   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.270  23.546   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.109  25.077   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.703  25.704   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.542  27.235   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.787  28.140   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.626  29.672   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.194  27.514   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.355  25.982   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.762  25.356   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.027  24.319   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.177  25.489   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.519  20.339   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.926  20.965   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       4.199  18.832   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       4.207  16.004   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.357   9.336   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.357   4.001   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.335  -1.540   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.667  -1.540   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       1.897  -2.874   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       3.278   2.130   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       4.724   2.130   0.000  0.00  0.00           C+0
CONECT    1    2   36   40   41                                             
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   35                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   34                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   33                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   32                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   30                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   26                                                  
CONECT   21   20   22   28   29                                             
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   20   27                                                  
CONECT   27   26                                                            
CONECT   28   21                                                            
CONECT   29   21                                                            
CONECT   30   17   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   15                                                       
CONECT   33   13                                                            
CONECT   34    8                                                            
CONECT   35    4                                                            
CONECT   36    1   37   44   45                                             
CONECT   37   36   38                                                       
CONECT   38   37   39   43                                                  
CONECT   39   38   40                                                       
CONECT   40   39    1   41   42                                             
CONECT   41   40    1                                                       
CONECT   42   40                                                            
CONECT   43   38                                                            
CONECT   44   36                                                            
CONECT   45   36                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₅₂O₅

Average Mass

612.8510 Da

Monoisotopic Mass

612.38147 Da

IUPAC Name

(5Z)-5-[(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaen-1-ylidene]-3-{2-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]ethyl}-2,5-dihydrofuran-2-one

Traditional Name

CAS Registry Number

Not Available

SMILES

C\C(\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C/C=C/C=C(\C)/C=C1\OC(=O)C(CC[C@H]2C(C)=CC(=O)CC2(C)C)=C1

InChI Identifier

InChI=1S/C40H52O5/c1-27(15-12-16-28(2)19-20-40-38(7,8)25-33(42)26-39(40,9)45-40)13-10-11-14-29(3)21-34-23-31(36(43)44-34)17-18-35-30(4)22-32(41)24-37(35,5)6/h10-16,19-23,33,35,42H,17-18,24-26H2,1-9H3/b11-10+,15-12+,20-19+,27-13+,28-16+,29-14+,34-21-/t33-,35-,39+,40-/m0/s1

InChI Key

NGKSEVYOCARGLQ-KFNUOSPMSA-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
Bathycoccus prasinos	Viridiplantae	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Cyclohexenone
Oxepane
2-furanone
Cyclic alcohol
Dihydrofuran
Enol ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Cyclic ketone
Secondary alcohol
Ketone
Lactone
Carboxylic acid derivative
Dialkyl ether
Oxacycle
Organoheterocyclic compound
Oxirane
Ether
Monocarboxylic acid or derivatives
Organic oxygen compound
Carbonyl group
Alcohol
Organic oxide
Organooxygen compound
Hydrocarbon derivative
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	7.78	ALOGPS
logP	7.67	ChemAxon
logS	-6.1	ALOGPS
pKa (Strongest Acidic)	15.14	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	76.13 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	191.85 m³·mol⁻¹	ChemAxon
Polarizability	73.89 Å³	ChemAxon
Number of Rings	4	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

C00023075

Chemspider ID

10475690

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21773683

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 3'-Dehydrouriolide (NP0065828)

MOL for NP0065828 (3'-Dehydrouriolide)

3D MOL for NP0065828 (3'-Dehydrouriolide)

3D SDF for NP0065828 (3'-Dehydrouriolide)

3D-SDF for NP0065828 (3'-Dehydrouriolide)

PDB for NP0065828 (3'-Dehydrouriolide)

3D PDB for NP0065828 (3'-Dehydrouriolide)

SMILES for NP0065828 (3'-Dehydrouriolide)

INCHI for NP0065828 (3'-Dehydrouriolide)

Structure for NP0065828 (3'-Dehydrouriolide)

3D Structure for NP0065828 (3'-Dehydrouriolide)