Np mrd loader

Showing NP-Card for perenniporide G (NP0351637)

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Record Information
Version2.0
Created at2025-10-02 18:51:58 UTC
Updated at2025-12-03 03:35:50 UTC
NP-MRD IDNP0351637
Natural Product DOIhttps://doi.org/10.57994/4701
Secondary Accession NumbersNone
Natural Product Identification
Common Nameperenniporide G
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0351637 (perenniporide G)


  Mrv2104 04082312032D          

 25 27  0  0  1  0            999 V2000
    4.5810    1.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6256   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4502   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8402    0.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849   -0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7095   -0.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4949   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9295   -2.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5395   -2.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703   -1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2357   -0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4111   -0.8765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7700   -1.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147   -1.1947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1752   -0.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4134   -1.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -2.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864   -1.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3664    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9765   -0.1753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4709    0.4767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535    0.3649    0.0000 C   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
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
  3 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  2 22  1  0  0  0  0
 23 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
M  END
Download

3D MOL for NP0351637 (perenniporide G)

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3D SDF for NP0351637 (perenniporide G)

  Mrv2104 04082312032D          

 25 27  0  0  1  0            999 V2000
    4.5810    1.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6256   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4502   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8402    0.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849   -0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7095   -0.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4949   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9295   -2.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5395   -2.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703   -1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2357   -0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4111   -0.8765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7700   -1.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147   -1.1947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1752   -0.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4134   -1.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -2.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864   -1.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3664    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9765   -0.1753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4709    0.4767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535    0.3649    0.0000 C   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
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
  3 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  2 22  1  0  0  0  0
 23 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0351637

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC1=C(OC)C=C2C(C(=O)C[C@@]3(OC)O[C@H](C[C@@]23O)C(O)=O)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C17H20O8/c1-4-8-11(23-2)5-9-13(14(8)19)10(18)6-17(24-3)16(9,22)7-12(25-17)15(20)21/h5,12,19,22H,4,6-7H2,1-3H3,(H,20,21)/t12-,16-,17-/m1/s1

> <INCHI_KEY>
SPMMWCLUYGKJAW-CSMYWGQOSA-N

> <FORMULA>
C17H20O8

> <MOLECULAR_WEIGHT>
352.339

> <EXACT_MASS>
352.115817604

$$$$

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3D-SDF for NP0351637 (perenniporide G)
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PDB for NP0351637 (perenniporide G)
HEADER    PROTEIN                                 08-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-APR-23         0                                  
HETATM    1  O   UNK     0       8.551   2.435   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       7.823   1.078   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.635  -0.231   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.174  -0.183   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      10.902   1.174   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      10.985  -1.492   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.524  -1.444   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.336  -2.753   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.257  -2.849   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      11.068  -4.158   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.340  -5.515   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.718  -2.897   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.907  -1.588   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.367  -1.636   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.037  -3.023   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.373  -2.812   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.947  -2.230   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.060  -0.694   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.638  -3.041   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.686  -4.581   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.281  -2.313   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.284   1.030   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.556  -0.327   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.612   0.890   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.087   0.681   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4   13                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13                                                       
CONECT   13   12    3   14                                                  
CONECT   14   13   15   16   23                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17   23                                                       
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    2   23                                                       
CONECT   23   22   14   18   24                                             
CONECT   24   23   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

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3D PDB for NP0351637 (perenniporide G)
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SMILES for NP0351637 (perenniporide G)
CCC1=C(OC)C=C2C(C(=O)C[C@@]3(OC)O[C@H](C[C@@]23O)C(O)=O)=C1O
Download
INCHI for NP0351637 (perenniporide G)
InChI=1S/C17H20O8/c1-4-8-11(23-2)5-9-13(14(8)19)10(18)6-17(24-3)16(9,22)7-12(25-17)15(20)21/h5,12,19,22H,4,6-7H2,1-3H3,(H,20,21)/t12-,16-,17-/m1/s1
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SynonymsNot Available
Chemical FormulaC17H20O8
Average Mass352.3390 Da
Monoisotopic Mass352.11582 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCC1=C(OC)C=C2C(C(=O)C[C@@]3(OC)O[C@H](C[C@@]23O)C(O)=O)=C1O
InChI Identifier
InChI=1S/C17H20O8/c1-4-8-11(23-2)5-9-13(14(8)19)10(18)6-17(24-3)16(9,22)7-12(25-17)15(20)21/h5,12,19,22H,4,6-7H2,1-3H3,(H,20,21)/t12-,16-,17-/m1/s1
InChI KeySPMMWCLUYGKJAW-CSMYWGQOSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)nicholas_oberlies@uncg.eduUNCG Oberlies LabReema A. Al-Qiam2025-10-02View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)nicholas_oberlies@uncg.eduUNCG Oberlies LabReema A. Al-Qiam2025-10-02View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Pyrenochaetopsis
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References