NP-MRD: Showing NP-Card for Mulberrofuran U (NP0055454)

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Record Information

Version

2.0

Created at

2022-04-28 01:30:07 UTC

Updated at

2022-04-28 01:30:07 UTC

NP-MRD ID

NP0055454

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Mulberrofuran U

Description

Mulberrofuran U belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Mulberrofuran U is found in Morus insignis. Based on a literature review very few articles have been published on Mulberrofuran U.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282203302D          

 48 53  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


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   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    2.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7278   -1.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604   -2.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8994   -2.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840   -3.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8555   -3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2424   -4.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4578   -4.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -3.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016   -3.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4139   -5.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4034   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8159   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4034   -3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784   -3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1659   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8159   -4.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8159   -1.4124    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  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  2  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
 17 23  2  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  9 30  1  0  0  0  0
  3 31  1  6  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 36 40  1  0  0  0  0
  2 41  1  1  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 41 46  1  0  0  0  0
 44 47  1  0  0  0  0
 42 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0055454

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1=C2OC(=CC2=CC=C1O)C1=CC(O)=C([C@H]2C=C(C)C[C@@H]([C@H]2C(=O)C2=CC=C(O)C=C2O)C2=C(O)C=C(O)C=C2)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C39H36O9/c1-19(2)4-8-27-30(42)11-5-21-16-35(48-39(21)27)22-14-33(45)37(34(46)15-22)29-13-20(3)12-28(25-9-6-23(40)17-31(25)43)36(29)38(47)26-10-7-24(41)18-32(26)44/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1

> <INCHI_KEY>
TZOIGLRIMJUSFR-QQDDVHTNSA-N

> <FORMULA>
C39H36O9

> <MOLECULAR_WEIGHT>
648.708

> <EXACT_MASS>
648.235932739

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
70.07712463298046

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol

> <ALOGPS_LOGP>
5.34

> <JCHEM_LOGP>
8.347440939333334

> <ALOGPS_LOGS>
-4.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.264917577159666

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.676568682708823

> <JCHEM_PKA_STRONGEST_BASIC>
-4.910758102371532

> <JCHEM_POLAR_SURFACE_AREA>
171.82

> <JCHEM_REFRACTIVITY>
184.31269999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.88e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol

> <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     -10.413  -1.303   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -9.643  -2.637   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.103  -2.637   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.333  -1.303   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.103   0.031   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.643   0.031   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -10.413   1.365   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.793  -1.303   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.023   0.031   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.483   0.031   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.713  -1.303   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.483  -2.637   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.023  -2.637   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -5.793  -3.970   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.268  -2.549   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.268  -0.057   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.864  -0.533   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.530  -2.843   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.198   0.237   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.530   1.777   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.864   2.547   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.864   4.087   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.530   4.857   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.198   4.857   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -5.793   1.365   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -6.959  -3.667   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -5.713  -4.572   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -7.279  -5.173   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -8.743  -5.649   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -9.064  -7.156   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -7.919  -8.186   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -6.455  -7.710   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -6.134  -6.204   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.670  -5.728   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -8.239  -9.692   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0     -10.413  -3.970   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     -11.953  -3.970   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0     -12.723  -5.304   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0     -11.953  -6.638   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0     -10.413  -6.638   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -9.643  -5.304   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0     -12.723  -7.971   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0     -12.723  -2.637   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   41                                                  
CONECT    3    2    4   31                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6                                                            
CONECT    8    4    9   13                                                  
CONECT    9    8   10   30                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13                                                       
CONECT   13   12    8   14                                                  
CONECT   14   13                                                            
CONECT   15   11   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   23                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18   15                                                       
CONECT   20   18   21   25                                                  
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22   17                                                       
CONECT   24   21                                                            
CONECT   25   20   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30    9                                                            
CONECT   31    3   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   40                                                  
CONECT   37   36   38                                                       
CONECT   38   37   33   39                                                  
CONECT   39   38                                                            
CONECT   40   36                                                            
CONECT   41    2   42   46                                                  
CONECT   42   41   43   48                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   47                                                  
CONECT   45   44   46                                                       
CONECT   46   45   41                                                       
CONECT   47   44                                                            
CONECT   48   42                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₉H₃₆O₉

Average Mass

648.7080 Da

Monoisotopic Mass

648.23593 Da

IUPAC Name

2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol

Traditional Name

2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol

CAS Registry Number

Not Available

SMILES

CC(C)=CCC1=C2OC(=CC2=CC=C1O)C1=CC(O)=C([C@H]2C=C(C)C[C@@H]([C@H]2C(=O)C2=CC=C(O)C=C2O)C2=C(O)C=C(O)C=C2)C(O)=C1

InChI Identifier

InChI=1S/C39H36O9/c1-19(2)4-8-27-30(42)11-5-21-16-35(48-39(21)27)22-14-33(45)37(34(46)15-22)29-13-20(3)12-28(25-9-6-23(40)17-31(25)43)36(29)38(47)26-10-7-24(41)18-32(26)44/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1

InChI Key

TZOIGLRIMJUSFR-QQDDVHTNSA-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
Morus insignis	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
4'-prenylated 2-arybenzofuran
7-prenylated 2-arybenzofuran
Linear 1,7-diphenylheptane skeleton
2-phenylbenzofuran
Phenylbenzofuran
Alkyl-phenylketone
Phenylketone
Benzofuran
Benzoyl
Aryl alkyl ketone
Aryl ketone
Resorcinol
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Heteroaromatic compound
Furan
Vinylogous acid
Ketone
Organoheterocyclic compound
Oxacycle
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Organic oxygen 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	5.34	ALOGPS
logP	8.35	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	7.68	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	171.82 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	184.31 m³·mol⁻¹	ChemAxon
Polarizability	70.08 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	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

C00008105

Chemspider ID

73973645

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102469749

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Mulberrofuran U (NP0055454)

MOL for NP0055454 (Mulberrofuran U)

3D MOL for NP0055454 (Mulberrofuran U)

3D SDF for NP0055454 (Mulberrofuran U)

3D-SDF for NP0055454 (Mulberrofuran U)

PDB for NP0055454 (Mulberrofuran U)

3D PDB for NP0055454 (Mulberrofuran U)

SMILES for NP0055454 (Mulberrofuran U)

INCHI for NP0055454 (Mulberrofuran U)

Structure for NP0055454 (Mulberrofuran U)

3D Structure for NP0055454 (Mulberrofuran U)