NP-MRD: Showing NP-Card for jacarelhyperol b (NP0166522)

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Record Information

Version

2.0

Created at

2022-09-03 01:55:19 UTC

Updated at

2022-09-03 01:55:20 UTC

NP-MRD ID

NP0166522

Secondary Accession Numbers

None

Natural Product Identification

Common Name

jacarelhyperol b

Description

Jacarelhyperol 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. Jacarelhyperol B is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. jacarelhyperol b is found in Hypericum japonicum. Based on a literature review very few articles have been published on jacarelhyperol B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032203552D          

 48 55  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309032203552D          

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   11.2743   -3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2584   -4.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9647   -4.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5360   -4.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5201   -5.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2265   -6.2198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7978   -6.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7819   -7.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0596   -7.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3532   -6.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3691   -6.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6628   -5.7384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0914   -5.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1074   -4.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8297   -4.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4120   -2.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5933   -2.4068    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1947   -1.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7961   -0.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4724   -2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9170   -1.2859    0.0000 O   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 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
    3.0323   -1.4389    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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  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  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 20 36  2  0  0  0  0
 25 36  1  0  0  0  0
 21 37  1  0  0  0  0
 37 38  1  0  0  0  0
 19 38  1  0  0  0  0
 38 39  1  6  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 17 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 14 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
  6 47  2  0  0  0  0
 11 47  1  0  0  0  0
  7 48  1  0  0  0  0
  2 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0166522

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)(O)[C@@H]1OC2=CC(O)=C3C(=O)C4=CC=CC(O)=C4OC3=C2[C@H]1OC1=CC=C2C(=O)C3=C(O)C=C4OC(C)(C)C=CC4=C3OC2=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H28O12/c1-35(2)11-10-14-21(48-35)12-18(38)23-27(41)16-8-9-20(28(42)31(16)47-30(14)23)44-33-25-22(45-34(33)36(3,4)43)13-19(39)24-26(40)15-6-5-7-17(37)29(15)46-32(24)25/h5-13,33-34,37-39,42-43H,1-4H3/t33-,34-/m1/s1

> <INCHI_KEY>
PESVSEKBWYZQFT-KKLWWLSJSA-N

> <FORMULA>
C36H28O12

> <MOLECULAR_WEIGHT>
652.608

> <EXACT_MASS>
652.158076342

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
66.71520201157168

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-{[(1R,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1H,2H,6H-furo[2,3-c]xanthen-1-yl]oxy}-6,11-dihydroxy-2,2-dimethyl-2,10-dihydro-1,5-dioxatetraphen-10-one

> <ALOGPS_LOGP>
4.69

> <JCHEM_LOGP>
6.296586203666665

> <ALOGPS_LOGS>
-4.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.093056438105076

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.595194277229279

> <JCHEM_PKA_STRONGEST_BASIC>
-3.143741409820402

> <JCHEM_POLAR_SURFACE_AREA>
181.44

> <JCHEM_REFRACTIVITY>
170.1513

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.75e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-{[(1R,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1H,2H-furo[2,3-c]xanthen-1-yl]oxy}-6,11-dihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       4.185  -5.336   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.156  -4.141   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.811  -3.392   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.164  -5.305   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.677  -5.014   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.181  -3.559   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.172  -2.395   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.677  -0.940   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.189  -0.649   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.693   0.807   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.197  -1.813   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.709  -1.522   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      12.213  -0.067   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      12.717  -2.686   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.230  -2.395   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      15.238  -3.559   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.734  -5.014   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      15.742  -6.178   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      17.254  -5.887   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.378  -6.940   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      19.727  -6.196   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      21.045  -6.991   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      21.016  -8.531   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      22.334  -9.326   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      19.667  -9.275   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      19.638 -10.815   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      20.956 -11.610   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      18.289 -11.559   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      18.260 -13.098   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.911 -13.843   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      15.593 -13.047   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      15.622 -11.507   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      14.304 -10.712   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      16.971 -10.763   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      17.000  -9.223   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      18.349  -8.479   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      19.436  -4.683   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      17.908  -4.493   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      17.163  -3.144   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      16.419  -1.796   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      15.815  -3.889   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      18.512  -2.400   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      13.221  -5.305   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      12.717  -6.760   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      12.213  -4.141   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      10.701  -4.432   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       9.693  -3.268   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       5.660  -2.686   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4   48                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   47                                                  
CONECT    7    6    8   48                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   47                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   45                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   43                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   38                                                  
CONECT   20   19   21   36                                                  
CONECT   21   20   22   37                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   36                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   34                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   28   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35   20   25                                                  
CONECT   37   21   38                                                       
CONECT   38   37   19   39                                                  
CONECT   39   38   40   41   42                                             
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   39                                                            
CONECT   43   17   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   14   46                                                  
CONECT   46   45   47                                                       
CONECT   47   46    6   11                                                  
CONECT   48    7    2                                                       
MASTER        0    0    0    0    0    0    0    0   48    0  110    0
END

View in JSmol

Synonyms

Value	Source
Rel-10-{[(1S,2S)-1,2-dihydro-5,10-dihydroxy-2-(1-hydroxy-1-methylethyl)-6-oxo-6H-furo[2,3-c]xanthene-1-yl]oxy}-6,11-dihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one	ChEBI

Chemical Formula

C₃₆H₂₈O₁₂

Average Mass

652.6080 Da

Monoisotopic Mass

652.15808 Da

IUPAC Name

7-{[(1R,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1H,2H,6H-furo[2,3-c]xanthen-1-yl]oxy}-6,11-dihydroxy-2,2-dimethyl-2,10-dihydro-1,5-dioxatetraphen-10-one

Traditional Name

7-{[(1R,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1H,2H-furo[2,3-c]xanthen-1-yl]oxy}-6,11-dihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one

CAS Registry Number

Not Available

SMILES

CC(C)(O)[C@@H]1OC2=CC(O)=C3C(=O)C4=CC=CC(O)=C4OC3=C2[C@H]1OC1=CC=C2C(=O)C3=C(O)C=C4OC(C)(C)C=CC4=C3OC2=C1O

InChI Identifier

InChI=1S/C36H28O12/c1-35(2)11-10-14-21(48-35)12-18(38)23-27(41)16-8-9-20(28(42)31(16)47-30(14)23)44-33-25-22(45-34(33)36(3,4)43)13-19(39)24-26(40)15-6-5-7-17(37)29(15)46-32(24)25/h5-13,33-34,37-39,42-43H,1-4H3/t33-,34-/m1/s1

InChI Key

PESVSEKBWYZQFT-KKLWWLSJSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Hypericum japonicum	LOTUS Database	35616633

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
Pyranochromene
2,2-dimethyl-1-benzopyran
Chromone
Coumaran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous acid
Tertiary alcohol
Ether
Oxacycle
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

polyphenol (CHEBI:66102 )
pyranoxanthones (CHEBI:66102 )

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	4.69	ALOGPS
logP	6.3	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	7.6	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	181.44 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	170.15 m³·mol⁻¹	ChemAxon
Polarizability	66.72 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

Not Available

Chemspider ID

8614671

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10439250

PDB ID

Not Available

ChEBI ID

66102

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for jacarelhyperol b (NP0166522)

MOL for NP0166522 (jacarelhyperol b)

3D MOL for NP0166522 (jacarelhyperol b)

3D SDF for NP0166522 (jacarelhyperol b)

3D-SDF for NP0166522 (jacarelhyperol b)

PDB for NP0166522 (jacarelhyperol b)

3D PDB for NP0166522 (jacarelhyperol b)

SMILES for NP0166522 (jacarelhyperol b)

INCHI for NP0166522 (jacarelhyperol b)

Structure for NP0166522 (jacarelhyperol b)

3D Structure for NP0166522 (jacarelhyperol b)