NP-MRD: Showing NP-Card for (-)-Dahuribirin B (NP0072833)

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Record Information

Version

2.0

Created at

2022-04-28 18:06:57 UTC

Updated at

2022-04-28 18:06:57 UTC

NP-MRD ID

NP0072833

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Dahuribirin B

Description

Dahuribirin B belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group. (-)-Dahuribirin B is found in Angelica dahurica and Angelica dahurica BENTH et HOOK.var.dahurica BENTH.et HOOK. . Based on a literature review very few articles have been published on Dahuribirin B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282220062D          

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M  END

     RDKit          3D

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M  END


  Mrv1652304282220062D          

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   -1.8207   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9262    1.0507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588    1.5356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5914    1.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8463    0.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0329    1.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2174    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588    2.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443    2.7731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701    4.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443    5.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588    4.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9733    3.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6877    4.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4022    3.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6877    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9733    5.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443    6.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701    6.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9548    5.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4397    4.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9548    3.7557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7905   -2.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700   -2.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5597   -2.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2741   -1.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1026   -0.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  1  6  2  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
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  6  0  0  0
  5 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
  4 18  1  0  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  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
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 31 37  1  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 29 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 28 42  1  0  0  0  0
  3 43  1  0  0  0  0
 43 44  1  0  0  0  0
  2 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
  1 47  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0072833

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2C=COC2=C(OC[C@H]2O[C@@]3(OC2(C)C)OC2=C(C=C3)C(OC)=C3C=COC3=C2OC[C@@H](O)C(C)(C)O)C2=C1C=CC(=O)O2

> <INCHI_IDENTIFIER>
InChI=1S/C34H34O13/c1-32(2,37)21(35)15-42-31-27-20(11-14-41-27)25(39-6)18-9-12-34(46-29(18)31)45-22(33(3,4)47-34)16-43-30-26-19(10-13-40-26)24(38-5)17-7-8-23(36)44-28(17)30/h7-14,21-22,35,37H,15-16H2,1-6H3/t21-,22-,34-/m1/s1

> <INCHI_KEY>
WTXFYLVSVHJEKX-RDIOQJBUSA-N

> <FORMULA>
C34H34O13

> <MOLECULAR_WEIGHT>
650.633

> <EXACT_MASS>
650.199941155

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
66.67358784439712

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-{[(2S,5R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4'-methoxy-4,4-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-5-yl]methoxy}-4-methoxy-7H-furo[3,2-g]chromen-7-one

> <ALOGPS_LOGP>
3.57

> <JCHEM_LOGP>
3.978495095666667

> <ALOGPS_LOGS>
-4.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.118688150549456

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.196270881635279

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5499206052310948

> <JCHEM_POLAR_SURFACE_AREA>
157.65000000000003

> <JCHEM_REFRACTIVITY>
165.4610999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.94e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-[(2S,5R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4'-methoxy-4,4-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-5-ylmethoxy]-4-methoxyfuro[3,2-g]chromen-7-one

> <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      -7.993  -1.673   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.367  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.835  -3.241   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.930  -1.995   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.557  -0.588   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.088  -0.427   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -7.714   0.980   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -9.246   1.141   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.872   2.547   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -11.404   2.708   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -12.936   2.869   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -11.565   1.177   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0     -11.243   4.240   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -8.967   3.793   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -4.651   0.658   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.120   0.497   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.493  -0.910   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.399  -2.156   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -3.596   1.961   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.350   2.867   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.104   1.961   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.580   0.497   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.061   3.095   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.406   1.657   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.350   4.407   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -1.016   5.177   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -1.016   6.717   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.318   7.487   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.318   9.027   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.016   9.797   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.350   9.027   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.350   7.487   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -3.683   6.717   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -5.017   7.487   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -6.351   6.717   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -5.017   9.027   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.683   9.797   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -1.016  11.337   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.318  12.107   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.782   9.502   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       2.687   8.257   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       1.782   7.011   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -5.209  -4.648   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -3.677  -4.809   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -8.511  -4.110   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -9.845  -3.340   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -9.525  -1.834   0.000  0.00  0.00           O+0
CONECT    1    2    6   47                                                  
CONECT    2    1    3   45                                                  
CONECT    3    2    4   43                                                  
CONECT    4    3    5   18                                                  
CONECT    5    4    6   15                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10                                                            
CONECT   14    9                                                            
CONECT   15    5   16                                                       
CONECT   16   15   17   19   22                                             
CONECT   17   16   18                                                       
CONECT   18   17    4                                                       
CONECT   19   16   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22   23   24                                             
CONECT   22   21   16                                                       
CONECT   23   21                                                            
CONECT   24   21                                                            
CONECT   25   20   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   32                                                  
CONECT   28   27   29   42                                                  
CONECT   29   28   30   40                                                  
CONECT   30   29   31   38                                                  
CONECT   31   30   32   37                                                  
CONECT   32   31   27   33                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   31                                                       
CONECT   38   30   39                                                       
CONECT   39   38                                                            
CONECT   40   29   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   28                                                       
CONECT   43    3   44                                                       
CONECT   44   43                                                            
CONECT   45    2   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46    1                                                       
MASTER        0    0    0    0    0    0    0    0   47    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₃₄O₁₃

Average Mass

650.6330 Da

Monoisotopic Mass

650.19994 Da

IUPAC Name

9-{[(2S,5R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4'-methoxy-4,4-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-5-yl]methoxy}-4-methoxy-7H-furo[3,2-g]chromen-7-one

Traditional Name

9-[(2S,5R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4'-methoxy-4,4-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-5-ylmethoxy]-4-methoxyfuro[3,2-g]chromen-7-one

CAS Registry Number

Not Available

SMILES

COC1=C2C=COC2=C(OC[C@H]2O[C@@]3(OC2(C)C)OC2=C(C=C3)C(OC)=C3C=COC3=C2OC[C@@H](O)C(C)(C)O)C2=C1C=CC(=O)O2

InChI Identifier

InChI=1S/C34H34O13/c1-32(2,37)21(35)15-42-31-27-20(11-14-41-27)25(39-6)18-9-12-34(46-29(18)31)45-22(33(3,4)47-34)16-43-30-26-19(10-13-40-26)24(38-5)17-7-8-23(36)44-28(17)30/h7-14,21-22,35,37H,15-16H2,1-6H3/t21-,22-,34-/m1/s1

InChI Key

WTXFYLVSVHJEKX-RDIOQJBUSA-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
Angelica dahurica	LOTUS Database	35616633
Angelica dahurica BENTH et HOOK.var.dahurica BENTH.et HOOK.	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Furanocoumarins

Direct Parent

5-methoxypsoralens

Alternative Parents

Substituents

5-methoxypsoralen
Benzopyran
1-benzopyran
Benzofuran
Anisole
Phenol ether
Alkyl aryl ether
Pyranone
Carboxylic acid orthoester
Ortho ester
Benzenoid
Pyran
Heteroaromatic compound
Meta-dioxolane
Tertiary alcohol
Furan
Secondary alcohol
1,2-diol
Orthocarboxylic acid derivative
Lactone
Organoheterocyclic compound
Oxacycle
Ether
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Alcohol
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	3.57	ALOGPS
logP	3.98	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	13.2	ChemAxon
pKa (Strongest Basic)	-2.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	157.65 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	165.46 m³·mol⁻¹	ChemAxon
Polarizability	66.67 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00032883

Chemspider ID

9062086

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10886819

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for (-)-Dahuribirin B (NP0072833)

MOL for NP0072833 ((-)-Dahuribirin B)

3D MOL for NP0072833 ((-)-Dahuribirin B)

3D SDF for NP0072833 ((-)-Dahuribirin B)

3D-SDF for NP0072833 ((-)-Dahuribirin B)

PDB for NP0072833 ((-)-Dahuribirin B)

3D PDB for NP0072833 ((-)-Dahuribirin B)

SMILES for NP0072833 ((-)-Dahuribirin B)

INCHI for NP0072833 ((-)-Dahuribirin B)

Structure for NP0072833 ((-)-Dahuribirin B)

3D Structure for NP0072833 ((-)-Dahuribirin B)