NP-MRD: Showing NP-Card for 2,2'-Diketospirilloxanthin (NP0065818)

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Record Information

Version

2.0

Created at

2022-04-28 10:00:43 UTC

Updated at

2022-04-28 10:00:43 UTC

NP-MRD ID

NP0065818

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,2'-Diketospirilloxanthin

Description

2,2'-Diketospirilloxanthin is found in Erythrobacter strai OCh 114, Rhodobacter sphaeroides and Roseobacter denitrificans.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282212002D          

 46 45  0  0  0  0            999 V2000
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3000   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1 46  1  0  0  0  0
M  END

     RDKit          3D

102101  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652304282212002D          

 46 45  0  0  0  0            999 V2000
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   12.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   12.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   12.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   13.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   13.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   14.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   14.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020   13.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.1434    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
 18 28  1  0  0  0  0
 14 29  1  0  0  0  0
 10 30  1  0  0  0  0
  5 31  1  0  0  0  0
  1 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 35 45  1  0  0  0  0
  1 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0065818

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(C)OC

> <INCHI_IDENTIFIER>
InChI=1S/C42H56O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32H,1-12H3/b14-13+,21-15-,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+

> <INCHI_KEY>
MNKGOUOMGDXWPK-KKSFQREJSA-N

> <FORMULA>
C42H56O4

> <MOLECULAR_WEIGHT>
624.906

> <EXACT_MASS>
624.417860283

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
79.41206673791288

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4E,6E,8E,10E,12Z,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-3,30-dione

> <ALOGPS_LOGP>
8.30

> <JCHEM_LOGP>
10.059909595999999

> <ALOGPS_LOGS>
-6.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8748971920465425

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
212.54560000000012

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.49e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4E,6E,8E,10E,12Z,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-3,30-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       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.160   5.335   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.930   6.668   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.160   8.002   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.930   9.336   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.160  10.669   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.930  12.003   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.160  13.337   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.930  14.670   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.160  16.004   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.930  17.338   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.160  18.672   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.620  18.672   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.850  20.005   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.310  20.005   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.540  21.339   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000  21.339   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.770  22.673   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.310  22.673   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.080  24.006   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.620  24.006   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -5.390  22.673   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -5.390  25.340   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.056  26.110   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -6.160  26.674   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -7.700  26.674   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.724  24.570   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.000  24.006   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.620  21.339   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.620  16.004   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.470   9.336   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.160   2.667   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.850   1.334   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       0.000  -2.667   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -2.310  -1.334   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -2.310   0.206   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -3.850  -1.334   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -4.620  -2.667   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -2.310  -2.874   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       1.540   2.667   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       8.470   4.001   0.000  0.00  0.00           C+0
CONECT    1    2   32   46                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   31                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   30                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   29                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   28                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25   27                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25                                                            
CONECT   27   23                                                            
CONECT   28   18                                                            
CONECT   29   14                                                            
CONECT   30   10                                                            
CONECT   31    5                                                            
CONECT   32    1   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   45                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42   44                                             
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42                                                            
CONECT   44   40                                                            
CONECT   45   35                                                            
CONECT   46    1                                                            
MASTER        0    0    0    0    0    0    0    0   46    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₅₆O₄

Average Mass

624.9060 Da

Monoisotopic Mass

624.41786 Da

IUPAC Name

(4E,6E,8E,10E,12Z,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-3,30-dione

Traditional Name

(4E,6E,8E,10E,12Z,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-3,30-dione

CAS Registry Number

Not Available

SMILES

COC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(C)OC

InChI Identifier

InChI=1S/C42H56O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32H,1-12H3/b14-13+,21-15-,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+

InChI Key

MNKGOUOMGDXWPK-KKSFQREJSA-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
Erythrobacter strai OCh 114	Bacteria	KNApSAcK
Rhodobacter sphaeroides	--	KNApSAcK
Roseobacter denitrificans	--	KNApSAcK

Chemical Taxonomy

Classification

Not classified

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	8.3	ALOGPS
logP	10.06	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	212.55 m³·mol⁻¹	ChemAxon
Polarizability	79.41 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Not Available

Showing NP-Card for 2,2'-Diketospirilloxanthin (NP0065818)

MOL for NP0065818 (2,2'-Diketospirilloxanthin)

3D MOL for NP0065818 (2,2'-Diketospirilloxanthin)

3D SDF for NP0065818 (2,2'-Diketospirilloxanthin)

3D-SDF for NP0065818 (2,2'-Diketospirilloxanthin)

PDB for NP0065818 (2,2'-Diketospirilloxanthin)

3D PDB for NP0065818 (2,2'-Diketospirilloxanthin)

SMILES for NP0065818 (2,2'-Diketospirilloxanthin)

INCHI for NP0065818 (2,2'-Diketospirilloxanthin)

Structure for NP0065818 (2,2'-Diketospirilloxanthin)

3D Structure for NP0065818 (2,2'-Diketospirilloxanthin)