NP-MRD: Showing NP-Card for (-)-Trisulcusine (NP0083391)

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Record Information

Version

2.0

Created at

2022-04-29 04:27:22 UTC

Updated at

2022-04-29 04:27:22 UTC

NP-MRD ID

NP0083391

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Trisulcusine

Description

Oriciacridone B belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system. (-)-Trisulcusine is found in Anisotes trisulcus. Based on a literature review very few articles have been published on Oriciacridone B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292206272D          

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M  END

     RDKit          3D

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M  END


  Mrv1652304292206272D          

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    4.3825   -4.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6525   -3.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -2.6861    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3023   -2.8421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0323   -3.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7622   -2.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418   -2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0323   -1.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424   -1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226   -0.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926    0.4321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4627   -0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2728   -0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8129   -1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6230   -1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1631   -1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8931   -2.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0829   -2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8129   -3.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428   -2.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7327   -2.3743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428   -0.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926   -1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825   -1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3023   -5.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424   -5.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.4280    0.0000 O   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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  6 13  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  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  1  0  0  0  0
 38 40  2  0  0  0  0
 34 40  1  0  0  0  0
 40 41  1  0  0  0  0
 33 42  2  0  0  0  0
 32 43  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  2  0  0  0  0
 21 44  1  0  0  0  0
 28 44  1  0  0  0  0
 19 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 17 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0083391

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCC2=C(O1)C=C1OC3=C(C(N[C@H]4[C@@H](O)C(C)(C)OC5=CC(O)=C6C(=O)C7=CC=CC(O)=C7NC6=C45)=CC=C3O)C(=O)C1=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C36H32N2O10/c1-35(2)11-10-14-20(47-35)13-21-26(30(14)42)32(44)23-16(8-9-18(40)33(23)46-21)37-29-25-22(48-36(3,4)34(29)45)12-19(41)24-28(25)38-27-15(31(24)43)6-5-7-17(27)39/h5-9,12-13,29,34,37,39-42,45H,10-11H2,1-4H3,(H,38,43)/t29-,34-/m1/s1

> <INCHI_KEY>
JOXLBVXLFFBYRB-ANHUGMMASA-N

> <FORMULA>
C36H32N2O10

> <MOLECULAR_WEIGHT>
652.656

> <EXACT_MASS>
652.205695238

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
68.21142240840744

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4R)-4-[(5,10-dihydroxy-2,2-dimethyl-6-oxo-2,3,4,6-tetrahydro-1,11-dioxatetracen-7-yl)amino]-3,6,11-trihydroxy-2,2-dimethyl-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-10-one

> <ALOGPS_LOGP>
5.44

> <JCHEM_LOGP>
7.939988385666666

> <ALOGPS_LOGS>
-4.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.644279011642737

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.187854413933945

> <JCHEM_PKA_STRONGEST_BASIC>
1.8604663849485428

> <JCHEM_POLAR_SURFACE_AREA>
187.04

> <JCHEM_REFRACTIVITY>
175.16469999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.23e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R,4R)-4-[(5,10-dihydroxy-2,2-dimethyl-6-oxo-3,4-dihydro-1,11-dioxatetracen-7-yl)amino]-3,6,11-trihydroxy-2,2-dimethyl-4,5-dihydro-3H-1-oxa-5-azatetraphen-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  O   UNK     0      11.205  -7.051   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      10.701  -8.507   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.709  -9.671   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.221  -9.380   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      13.726  -7.924   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      14.230 -10.544   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.742 -10.253   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.750 -11.417   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.246 -12.872   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.767 -13.116   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.270 -14.412   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      14.734 -13.163   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      13.726 -11.999   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.213 -12.290   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.205 -11.126   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.693 -11.417   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.685 -10.253   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.189  -8.798   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.181  -7.633   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       8.685  -6.178   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       7.677  -5.014   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.164  -5.305   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.660  -6.760   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.156  -4.141   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.185  -5.336   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.811  -3.392   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.660  -2.686   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.172  -2.395   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.677  -0.940   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.189  -0.649   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       9.693   0.807   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      10.197  -1.813   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.709  -1.522   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.717  -2.686   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.230  -2.395   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.238  -3.559   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      14.734  -5.014   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.221  -5.305   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      12.717  -6.760   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      12.213  -4.141   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0      10.701  -4.432   0.000  0.00  0.00           N+0
HETATM   42  O   UNK     0      12.213  -0.067   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       9.693  -3.268   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.181  -3.559   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       6.668  -7.924   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       6.164  -9.380   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       7.172 -10.544   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       6.668 -11.999   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4   15                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   13                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9   13                                                       
CONECT   13    6   12   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14    3   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   47                                                  
CONECT   18   17    2   19                                                  
CONECT   19   18   20   45                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   44                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28                                                       
CONECT   28   27   29   44                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   43                                                  
CONECT   33   32   34   42                                                  
CONECT   34   33   35   40                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   34   41                                                  
CONECT   41   40   43                                                       
CONECT   42   33                                                            
CONECT   43   32   41   44                                                  
CONECT   44   43   21   28                                                  
CONECT   45   19   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   17   48                                                  
CONECT   48   47                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  110    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₂N₂O₁₀

Average Mass

652.6560 Da

Monoisotopic Mass

652.20570 Da

IUPAC Name

(3R,4R)-4-[(5,10-dihydroxy-2,2-dimethyl-6-oxo-2,3,4,6-tetrahydro-1,11-dioxatetracen-7-yl)amino]-3,6,11-trihydroxy-2,2-dimethyl-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-10-one

Traditional Name

(3R,4R)-4-[(5,10-dihydroxy-2,2-dimethyl-6-oxo-3,4-dihydro-1,11-dioxatetracen-7-yl)amino]-3,6,11-trihydroxy-2,2-dimethyl-4,5-dihydro-3H-1-oxa-5-azatetraphen-10-one

CAS Registry Number

Not Available

SMILES

CC1(C)CCC2=C(O1)C=C1OC3=C(C(N[C@H]4[C@@H](O)C(C)(C)OC5=CC(O)=C6C(=O)C7=CC=CC(O)=C7NC6=C45)=CC=C3O)C(=O)C1=C2O

InChI Identifier

InChI=1S/C36H32N2O10/c1-35(2)11-10-14-20(47-35)13-21-26(30(14)42)32(44)23-16(8-9-18(40)33(23)46-21)37-29-25-22(48-36(3,4)34(29)45)12-19(41)24-28(25)38-27-15(31(24)43)6-5-7-17(27)39/h5-9,12-13,29,34,37,39-42,45H,10-11H2,1-4H3,(H,38,43)/t29-,34-/m1/s1

InChI Key

JOXLBVXLFFBYRB-ANHUGMMASA-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
Anisotes trisulcus	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Pyranoxanthones

Alternative Parents

Substituents

Pyranoxanthone
Acridone
Acridine
Benzoquinoline
Chromenopyridine
Pyranochromene
2,2-dimethyl-1-benzopyran
Chromone
Dihydroquinolone
8-hydroxyquinoline
Dihydroquinoline
Quinoline
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Secondary aliphatic/aromatic amine
Aralkylamine
Pyridine
Pyran
Benzenoid
Vinylogous acid
Vinylogous amide
Heteroaromatic compound
Secondary alcohol
1,2-aminoalcohol
Oxacycle
Polyol
Azacycle
Secondary amine
Ether
Organic oxygen compound
Alcohol
Amine
Organic oxide
Organic nitrogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
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	5.44	ALOGPS
logP	7.94	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	8.19	ChemAxon
pKa (Strongest Basic)	1.86	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	187.04 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	175.16 m³·mol⁻¹	ChemAxon
Polarizability	68.21 Å³	ChemAxon
Number of Rings	8	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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00052066

Chemspider ID

9673153

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11498347

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Trisulcusine (NP0083391)

MOL for NP0083391 ((-)-Trisulcusine)

3D MOL for NP0083391 ((-)-Trisulcusine)

3D SDF for NP0083391 ((-)-Trisulcusine)

3D-SDF for NP0083391 ((-)-Trisulcusine)

PDB for NP0083391 ((-)-Trisulcusine)

3D PDB for NP0083391 ((-)-Trisulcusine)

SMILES for NP0083391 ((-)-Trisulcusine)

INCHI for NP0083391 ((-)-Trisulcusine)

Structure for NP0083391 ((-)-Trisulcusine)

3D Structure for NP0083391 ((-)-Trisulcusine)