NP-MRD: Showing NP-Card for (-)-Cilistol w (NP0072785)

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Record Information

Version

2.0

Created at

2022-04-28 18:04:38 UTC

Updated at

2022-04-28 18:04:38 UTC

NP-MRD ID

NP0072785

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Cilistol w

Description

[(1S,2R,3S,5R,10R,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5S,6S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-3,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-7-en-5-yl]oxidanesulfonic acid belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. (-)-Cilistol w is found in Solanum cilistum. Based on a literature review very few articles have been published on [(1S,2R,3S,5R,10R,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5S,6S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-3,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-7-en-5-yl]oxidanesulfonic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282220042D          

 40 44  0  0  1  0            999 V2000
    6.1708   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    0.5577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.5754    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  9 12  1  1  0  0  0
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 37 38  2  0  0  0  0
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 37 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652304282220042D          

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    2.6708    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0195    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -0.1416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8051   -0.4604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7008   -1.2788    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3574   -1.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2531   -2.5967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4922   -2.9156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1644   -2.4161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0601   -1.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -3.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9859   -2.3404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7844   -3.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159   -3.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097   -3.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446   -0.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5435    1.4789    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8238    2.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    1.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7676    1.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  6  0  0  0
  9 12  1  1  0  0  0
  8 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  1  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  1  0  0  0
 25 28  1  6  0  0  0
 28 29  1  0  0  0  0
 24 30  1  1  0  0  0
 24 31  1  6  0  0  0
 23 32  1  6  0  0  0
 20 33  1  1  0  0  0
 19 34  1  6  0  0  0
 15 35  1  1  0  0  0
  2 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0072785

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@]1(C)C[C@@H](O[C@H](O)[C@@]1(C)O)[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H48O10S/c1-16(22-15-26(3,37-6)28(5,32)24(31)38-22)29(33)12-10-20-19-8-7-17-13-18(39-40(34,35)36)14-23(30)27(17,4)21(19)9-11-25(20,29)2/h7,16,18-24,30-33H,8-15H2,1-6H3,(H,34,35,36)/t16-,18-,19+,20+,21+,22-,23+,24+,25+,26-,27+,28-,29+/m1/s1

> <INCHI_KEY>
XQFDBLLELBBYJE-BLKXCNBGSA-N

> <FORMULA>
C29H48O10S

> <MOLECULAR_WEIGHT>
588.75

> <EXACT_MASS>
588.29681892

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
64.19019821549534

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1S,2R,3S,5R,10R,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5S,6S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-3,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid

> <ALOGPS_LOGP>
0.69

> <JCHEM_LOGP>
0.08706921441944494

> <ALOGPS_LOGS>
-3.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.14222765222408

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.4365704095919236

> <JCHEM_PKA_STRONGEST_BASIC>
-2.994659670996282

> <JCHEM_POLAR_SURFACE_AREA>
162.98

> <JCHEM_REFRACTIVITY>
146.7089

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.60e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(1S,2R,3S,5R,10R,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5S,6S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-3,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid

> <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      11.519  -0.407   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.042   1.041   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.049   2.218   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.533   1.947   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.541   3.125   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.025   2.854   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.502   1.405   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.494   0.228   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.010   0.499   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.003  -0.678   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.480  -2.127   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.487  -0.949   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.971  -1.221   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.455  -1.492   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.462  -0.314   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.986   1.134   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.770   2.079   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.495   1.215   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.923  -0.264   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.503  -0.859   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.308  -2.387   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.534  -3.320   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.339  -4.847   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.919  -5.442   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.307  -4.510   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.112  -2.982   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.281  -5.702   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.840  -4.369   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.485  -2.970   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.464  -6.883   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.030  -6.700   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       3.565  -5.780   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.277   0.073   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.697  -1.787   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       3.791  -1.700   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      13.558   1.312   0.000  0.00  0.00           O+0
HETATM   37  S   UNK     0      14.081   2.761   0.000  0.00  0.00           S+0
HETATM   38  O   UNK     0      14.605   4.209   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      15.530   2.237   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      12.633   3.284   0.000  0.00  0.00           O+0
CONECT    1    2   10                                                       
CONECT    2    1    3   36                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8    4   10   12                                             
CONECT   10    9    1   11                                                  
CONECT   11   10                                                            
CONECT   12    9                                                            
CONECT   13    8   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   19   35                                             
CONECT   16   15    7   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   15   20   34                                             
CONECT   20   19   21   33                                                  
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   32                                                  
CONECT   24   23   25   30   31                                             
CONECT   25   24   26   27   28                                             
CONECT   26   25   21                                                       
CONECT   27   25                                                            
CONECT   28   25   29                                                       
CONECT   29   28                                                            
CONECT   30   24                                                            
CONECT   31   24                                                            
CONECT   32   23                                                            
CONECT   33   20                                                            
CONECT   34   19                                                            
CONECT   35   15                                                            
CONECT   36    2   37                                                       
CONECT   37   36   38   39   40                                             
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   37                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Value	Source
[(1S,2R,3S,5R,10R,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5S,6S)-5,6-Dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-3,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl]oxidanesulfonate	Generator
[(1S,2R,3S,5R,10R,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5S,6S)-5,6-Dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-3,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl]oxidanesulphonate	Generator
[(1S,2R,3S,5R,10R,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5S,6S)-5,6-Dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-3,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl]oxidanesulphonic acid	Generator

Chemical Formula

C₂₉H₄₈O₁₀S

Average Mass

588.7500 Da

Monoisotopic Mass

588.29682 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CO[C@]1(C)C[C@@H](O[C@H](O)[C@@]1(C)O)[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O

InChI Identifier

InChI=1S/C29H48O10S/c1-16(22-15-26(3,37-6)28(5,32)24(31)38-22)29(33)12-10-20-19-8-7-17-13-18(39-40(34,35)36)14-23(30)27(17,4)21(19)9-11-25(20,29)2/h7,16,18-24,30-33H,8-15H2,1-6H3,(H,34,35,36)/t16-,18-,19+,20+,21+,22-,23+,24+,25+,26-,27+,28-,29+/m1/s1

InChI Key

XQFDBLLELBBYJE-BLKXCNBGSA-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
Solanum cilistum	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Sulfated steroids

Direct Parent

Sulfated steroids

Alternative Parents

Substituents

Sulfated steroid skeleton
Pregnane-skeleton
1-hydroxysteroid
17-hydroxysteroid
Hydroxysteroid
Delta-5-steroid
Sulfuric acid ester
Alkyl sulfate
Sulfate-ester
Sulfuric acid monoester
Oxane
Tertiary alcohol
Organic sulfuric acid or derivatives
Cyclic alcohol
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	0.69	ALOGPS
logP	0.087	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	-1.4	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	162.98 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	146.71 m³·mol⁻¹	ChemAxon
Polarizability	64.19 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

163106610

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Cilistol w (NP0072785)

MOL for NP0072785 ((-)-Cilistol w)

3D MOL for NP0072785 ((-)-Cilistol w)

3D SDF for NP0072785 ((-)-Cilistol w)

3D-SDF for NP0072785 ((-)-Cilistol w)

PDB for NP0072785 ((-)-Cilistol w)

3D PDB for NP0072785 ((-)-Cilistol w)

SMILES for NP0072785 ((-)-Cilistol w)

INCHI for NP0072785 ((-)-Cilistol w)

Structure for NP0072785 ((-)-Cilistol w)

3D Structure for NP0072785 ((-)-Cilistol w)