NP-MRD: Showing NP-Card for Jatrophatrione (NP0052022)

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Record Information

Version

2.0

Created at

2022-04-27 23:12:46 UTC

Updated at

2022-04-27 23:12:46 UTC

NP-MRD ID

NP0052022

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Jatrophatrione

Description

Jatrophatrione belongs to the class of organic compounds known as jatrophane and cyclojatrophane diterpenoids. These are diterpenoids with a structure based on the jatrophane or the 9,13-jatrophane skeleton. Jatrophane can be derived from casbane by 6,10-cyclization and opening of the cyclopropane. Cyclojatrophane diterpenoids are based on the 9,13-cyclization of the jatrophane skeleton yields the 9,13-cyclojatrophane skeleton. Jatrophatrione is found in Jatropha curcas and Jatropha macrorhiza. Based on a literature review very few articles have been published on Jatrophatrione.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.7546    4.3341    0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    2.8043    0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0298    2.2473    0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954    0.8453    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    0.4080    0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0601    0.3579 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9055   -1.6289   -1.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5468   -1.5115    1.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5911   -0.3346    0.9439 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7401   -0.7425   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1396   -0.7108   -1.3557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6367   -1.2016    0.0134 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9028   -1.7431    1.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688   -2.1116   -1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5831   -2.9173   -1.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6466   -1.8410   -1.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8388   -0.4760   -0.4031 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6162   -0.5446    0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6085    0.4338   -1.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4644    0.0463   -0.3228 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1767    1.1432    0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2716    2.1117   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6293    2.3408   -1.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7794    4.7721    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419    4.7690   -0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4346    4.6066    1.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7834    2.9933    1.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144    0.9946    0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6426   -1.3227    0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274   -2.4660   -1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8349   -0.8106   -1.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9712   -1.9854   -1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8004   -1.6882    2.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635   -2.4485    0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408   -0.3078    1.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3329   -1.0670    2.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5251   -2.6854    1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0738   -2.1006    1.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2264   -2.6266   -0.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9249   -1.7599   -2.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7029   -0.3148    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3248    0.1875    1.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6539   -1.5813    1.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153    0.2364   -2.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6874    0.4004   -1.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737    1.4718   -1.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447    0.3085   -1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2024    1.6547    0.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8939    0.8789    1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  8  1  0
  8  9  1  0
  9  4  1  0
  4  5  2  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 22  1  0
 22 23  2  0
 22 21  1  0
 21 20  1  0
 20 17  1  0
 17 18  1  1
 17 19  1  0
 17 16  1  0
 16 14  1  0
 14 15  2  0
 14 12  1  0
 12 13  1  1
 12 10  1  0
 10 11  2  0
  5  6  1  0
 12 20  1  0
 10  9  1  0
  7 30  1  0
  7 31  1  0
  7 32  1  0
  6 29  1  1
  8 33  1  0
  8 34  1  0
  9 35  1  1
  5 28  1  0
  3 27  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 21 48  1  0
 21 49  1  0
 20 47  1  6
 18 41  1  0
 18 42  1  0
 18 43  1  0
 19 44  1  0
 19 45  1  0
 19 46  1  0
 16 39  1  0
 16 40  1  0
 13 36  1  0
 13 37  1  0
 13 38  1  0
M  END


  Mrv1652304282201122D          

 23 25  0  0  1  0            999 V2000
    4.6175    2.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2495    2.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3928    1.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1997    1.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    0.6434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5323    0.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9803    0.9210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2050    0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2050   -0.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4298    0.9210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0173    1.6354    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1605    2.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7925    2.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104    3.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    1.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8777    0.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0493   -0.4991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9472    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052    1.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0005    0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8997    3.7534    0.0000 C   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  1  0  0  0  0
  7  6  1  6  0  0  0
  3  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  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 10 21  1  1  0  0  0
  5 22  1  6  0  0  0
  1 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0052022

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1C[C@H]2C(=C1)\C=C(C)/C(=O)C[C@@H]1C(C)(C)CC(=O)[C@@]1(C)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H26O3/c1-11-6-13-8-12(2)15(21)9-16-19(3,4)10-17(22)20(16,5)18(23)14(13)7-11/h6,8,11,14,16H,7,9-10H2,1-5H3/b12-8-/t11-,14-,16+,20-/m0/s1

> <INCHI_KEY>
TYBGBKQPLBAYQG-CJIMKZOCSA-N

> <FORMULA>
C20H26O3

> <MOLECULAR_WEIGHT>
314.425

> <EXACT_MASS>
314.188194697

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
35.11972084599343

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,3S,7R,10Z,14R)-3,6,6,10,14-pentamethyltricyclo[10.3.0.0^{3,7}]pentadeca-10,12-diene-2,4,9-trione

> <ALOGPS_LOGP>
3.00

> <JCHEM_LOGP>
4.0149895593333325

> <ALOGPS_LOGS>
-3.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.348320427535786

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.785112983625886

> <JCHEM_PKA_STRONGEST_BASIC>
-4.702801700506948

> <JCHEM_POLAR_SURFACE_AREA>
51.21

> <JCHEM_REFRACTIVITY>
91.60249999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.75e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3S,7R,10Z,14R)-3,6,6,10,14-pentamethyltricyclo[10.3.0.0^{3,7}]pentadeca-10,12-diene-2,4,9-trione

> <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       8.619   5.559   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.799   4.569   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.067   3.053   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.573   2.733   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.734   1.201   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.327   0.575   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.297   1.719   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.849   1.192   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.849  -0.348   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.402   1.719   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.632   3.053   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.900   4.569   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.079   5.559   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.553   7.006   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.126   2.733   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.965   1.201   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.372   0.575   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.692  -0.932   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.635   4.192   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.623   3.069   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.775   0.225   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.068   0.431   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.146   7.006   0.000  0.00  0.00           C+0
CONECT    1    2   13   23                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   22                                                  
CONECT    6    5    7                                                       
CONECT    7    6    3    8                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   17   21                                             
CONECT   11   10   12   15                                                  
CONECT   12   11   13                                                       
CONECT   13   12    1   14                                                  
CONECT   14   13                                                            
CONECT   15   11   16   19   20                                             
CONECT   16   15   17                                                       
CONECT   17   16   10   18                                                  
CONECT   18   17                                                            
CONECT   19   15                                                            
CONECT   20   15                                                            
CONECT   21   10                                                            
CONECT   22    5                                                            
CONECT   23    1                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₆O₃

Average Mass

314.4250 Da

Monoisotopic Mass

314.18819 Da

IUPAC Name

(1S,3S,7R,10Z,14R)-3,6,6,10,14-pentamethyltricyclo[10.3.0.0^{3,7}]pentadeca-10,12-diene-2,4,9-trione

Traditional Name

(1S,3S,7R,10Z,14R)-3,6,6,10,14-pentamethyltricyclo[10.3.0.0^{3,7}]pentadeca-10,12-diene-2,4,9-trione

CAS Registry Number

Not Available

SMILES

C[C@@H]1C[C@H]2C(=C1)\C=C(C)/C(=O)C[C@@H]1C(C)(C)CC(=O)[C@@]1(C)C2=O

InChI Identifier

InChI=1S/C20H26O3/c1-11-6-13-8-12(2)15(21)9-16-19(3,4)10-17(22)20(16,5)18(23)14(13)7-11/h6,8,11,14,16H,7,9-10H2,1-5H3/b12-8-/t11-,14-,16+,20-/m0/s1

InChI Key

TYBGBKQPLBAYQG-CJIMKZOCSA-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
Jatropha curcas	Plant	KNApSAcK
Jatropha macrorhiza	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as jatrophane and cyclojatrophane diterpenoids. These are diterpenoids with a structure based on the jatrophane or the 9,13-jatrophane skeleton. Jatrophane can be derived from casbane by 6,10-cyclization and opening of the cyclopropane. Cyclojatrophane diterpenoids are based on the 9,13-cyclization of the jatrophane skeleton yields the 9,13-cyclojatrophane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Jatrophane and cyclojatrophane diterpenoids

Alternative Parents

Substituents

9,13-cyclojatrophane diterpenoid
Cyclic ketone
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

diterpenoid (CHEBI:6085 )
Mesotricyclic diterpenoids (C09119 )

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	3	ALOGPS
logP	4.01	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	15.79	ChemAxon
pKa (Strongest Basic)	-4.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	51.21 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	91.6 m³·mol⁻¹	ChemAxon
Polarizability	35.12 Å³	ChemAxon
Number of Rings	3	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

C00003445

Chemspider ID

4444733

KEGG Compound ID

C09119

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5281372

PDB ID

Not Available

ChEBI ID

6085

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Jatrophatrione (NP0052022)

MOL for NP0052022 (Jatrophatrione)

3D MOL for NP0052022 (Jatrophatrione)

3D SDF for NP0052022 (Jatrophatrione)

3D-SDF for NP0052022 (Jatrophatrione)

PDB for NP0052022 (Jatrophatrione)

3D PDB for NP0052022 (Jatrophatrione)

SMILES for NP0052022 (Jatrophatrione)

INCHI for NP0052022 (Jatrophatrione)

Structure for NP0052022 (Jatrophatrione)

3D Structure for NP0052022 (Jatrophatrione)