NP-MRD: Showing NP-Card for Discorhabdin G (NP0068975)

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Record Information

Version

2.0

Created at

2022-04-28 14:15:09 UTC

Updated at

2022-04-28 14:15:09 UTC

NP-MRD ID

NP0068975

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Discorhabdin G

Description

(1R)-3-bromo-6',10',15'-triazaspiro[cyclohexane-1,3'-tetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]Hexadecane]-1'(15'),2,2'(7'),4',9'(16'),11'-hexaene-4,8'-dione belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring. Discorhabdin G is found in Latrunculia apicalis and Latrunculia bellae. Based on a literature review very few articles have been published on (1R)-3-bromo-6',10',15'-triazaspiro[cyclohexane-1,3'-tetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]Hexadecane]-1'(15'),2,2'(7'),4',9'(16'),11'-hexaene-4,8'-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 42  0  0  0  0  0  0  0  0999 V2000
   -5.1785    0.8308   -0.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9571    0.6902   -0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4469    0.8384    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9195    0.8189    0.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4983   -0.4241    0.1359 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3538   -1.5600    0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590   -2.7074    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4469   -2.9175    1.0770 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4127   -1.8544    0.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -0.7182    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9185    0.3192   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583    1.4510   -0.5571 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4605    2.4867   -0.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150    2.2564   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3159    0.9410   -0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904    0.2492   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947   -1.0028    0.3917 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8562   -1.1318    0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337    0.0487   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635   -2.1404    0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941   -3.2477    1.2237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8492   -0.1609   -1.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0454    0.3782   -1.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5165    0.7236   -3.3975 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6955    1.8667    1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8731    0.1401    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5049    0.9041    1.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6627    1.6929    0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4323   -1.4978    0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295   -3.5251    1.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0501   -3.8271    1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1620    3.4577   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    2.7072   -2.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3928    2.3418   -1.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439    3.0934   -0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4692    0.6345   -0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8439   -1.7613    0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703   -0.3943   -2.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
 24 23  1  0
 23 22  2  0
  5 22  1  0
  5  4  1  1
  4  3  1  0
  3  2  1  0
  2  1  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
  2 23  1  0
 20  9  1  0
 10  5  1  0
 19 11  1  0
 19 15  1  0
 22 38  1  0
  4 27  1  0
  4 28  1  0
  3 25  1  0
  3 26  1  0
  6 29  1  0
  7 30  1  0
  8 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
M  END


  Mrv1652304282216152D          

 24 28  0  0  1  0            999 V2000
    0.8383    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920    0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509   -0.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8132   -1.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0025   -1.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7295   -0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0317    0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355    0.8699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879    1.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342    1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053    2.4886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548    2.5267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7085    1.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126    1.1172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1374    1.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5663    0.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705   -0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5994   -0.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3457   -0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9498   -1.0351    0.0000 Br  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
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 16  1  6  0  0  0
 10 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  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 17 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0068975

> <DATABASE_NAME>
NP-MRD

> <SMILES>
BrC1=C[C@@]2(CCC1=O)C=CNC1=C2C2=NCCC3=CNC(=C23)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H14BrN3O2/c19-10-7-18(3-1-11(10)23)4-6-21-16-13(18)14-12-9(2-5-20-14)8-22-15(12)17(16)24/h4,6-8,21-22H,1-3,5H2/t18-/m1/s1

> <INCHI_KEY>
OPJMUCWJTABMGQ-GOSISDBHSA-N

> <FORMULA>
C18H14BrN3O2

> <MOLECULAR_WEIGHT>
384.233

> <EXACT_MASS>
383.02694

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
34.93256590182982

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R)-3-bromo-6',10',15'-triazaspiro[cyclohexane-1,3'-tetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadecane]-1'(15'),2,2'(7'),4',9'(16'),11'-hexaene-4,8'-dione

> <ALOGPS_LOGP>
2.55

> <JCHEM_LOGP>
1.2550487286666665

> <ALOGPS_LOGS>
-3.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.778164756989174

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.279999188479376

> <JCHEM_PKA_STRONGEST_BASIC>
4.798867862359446

> <JCHEM_POLAR_SURFACE_AREA>
74.32

> <JCHEM_REFRACTIVITY>
97.17049999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.50e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R)-3-bromo-6',10',15'-triazaspiro[cyclohexane-1,3'-tetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadecane]-1'(15'),2,2'(7'),4',9'(16'),11'-hexaene-4,8'-dione

> <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       1.565   1.979   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.365   0.663   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.905   0.699   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       4.388  -1.075   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       3.385  -2.243   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.871  -1.958   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.362  -0.505   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.059   0.089   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       0.066   1.624   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       4.644   2.050   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.843   3.365   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.304   3.330   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.503   4.645   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       4.582   4.717   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       6.122   4.752   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.923   3.437   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.184   2.086   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.723   2.121   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.524   0.806   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.785  -0.546   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.585  -1.861   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.245  -0.581   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.445   0.734   0.000  0.00  0.00           C+0
HETATM   24 Br   UNK     0       5.506  -1.932   0.000  0.00  0.00          Br+0
CONECT    1    2    9   12                                                  
CONECT    2    1    3    7                                                  
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    2    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8    1                                                       
CONECT   10    3   11   17                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11    1   13                                                  
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   10   18   23                                             
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22   17                                                       
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₁₄BrN₃O₂

Average Mass

384.2330 Da

Monoisotopic Mass

383.02694 Da

IUPAC Name

(1R)-3-bromo-6',10',15'-triazaspiro[cyclohexane-1,3'-tetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadecane]-1'(15'),2,2'(7'),4',9'(16'),11'-hexaene-4,8'-dione

Traditional Name

(1R)-3-bromo-6',10',15'-triazaspiro[cyclohexane-1,3'-tetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadecane]-1'(15'),2,2'(7'),4',9'(16'),11'-hexaene-4,8'-dione

CAS Registry Number

Not Available

SMILES

BrC1=C[C@@]2(CCC1=O)C=CNC1=C2C2=NCCC3=CNC(=C23)C1=O

InChI Identifier

InChI=1S/C18H14BrN3O2/c19-10-7-18(3-1-11(10)23)4-6-21-16-13(18)14-12-9(2-5-20-14)8-22-15(12)17(16)24/h4,6-8,21-22H,1-3,5H2/t18-/m1/s1

InChI Key

OPJMUCWJTABMGQ-GOSISDBHSA-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
Latrunculia apicalis	-	KNApSAcK
Latrunculia bellae	-	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Phenanthrolines

Sub Class

Not Available

Direct Parent

Phenanthrolines

Alternative Parents

Substituents

1,7-phenanthroline
Pyrrolo[4,3,2-de]quinoline
Pyrroloquinoline
Indole or derivatives
Aryl ketone
Dihydropyridine
Cyclohexenone
Alpha-haloketone
Pyrrole
Heteroaromatic compound
Ketimine
Ketone
Cyclic ketone
Propargyl-type 1,3-dipolar organic compound
Haloalkene
Vinyl halide
Vinyl bromide
Azacycle
Bromoalkene
Allylamine
Organic 1,3-dipolar compound
Secondary aliphatic amine
Enamine
Carbonyl group
Organobromide
Organohalogen compound
Amine
Organic oxygen compound
Imine
Organonitrogen compound
Organic nitrogen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
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	2.55	ALOGPS
logP	1.26	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	13.28	ChemAxon
pKa (Strongest Basic)	4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.32 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	97.17 m³·mol⁻¹	ChemAxon
Polarizability	34.93 Å³	ChemAxon
Number of Rings	5	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

Not Available

Chemspider ID

8747451

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10572064

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Discorhabdin G (NP0068975)

MOL for NP0068975 (Discorhabdin G)

3D MOL for NP0068975 (Discorhabdin G)

3D SDF for NP0068975 (Discorhabdin G)

3D-SDF for NP0068975 (Discorhabdin G)

PDB for NP0068975 (Discorhabdin G)

3D PDB for NP0068975 (Discorhabdin G)

SMILES for NP0068975 (Discorhabdin G)

INCHI for NP0068975 (Discorhabdin G)

Structure for NP0068975 (Discorhabdin G)

3D Structure for NP0068975 (Discorhabdin G)