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Showing NP-Card for Strobiloscyphone E (NP0353535)

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Record Information
Version2.0
Created at2026-02-23 14:47:08 UTC
Updated at2026-02-23 16:01:09 UTC
NP-MRD IDNP0353535
Natural Product DOIhttps://doi.org/10.57994/8064
Secondary Accession NumbersNone
Natural Product Identification
Common NameStrobiloscyphone E
Description Strobiloscyphone E was first documented in 2021 (PMID: 34495663).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0353535 (Strobiloscyphone E)


  Mrv2104 03242311592D          

 18 18  0  0  1  0            999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    2.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    2.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2195    1.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556    2.8885    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
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3D MOL for NP0353535 (Strobiloscyphone E)

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3D SDF for NP0353535 (Strobiloscyphone E)

  Mrv2104 03242311592D          

 18 18  0  0  1  0            999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    2.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    2.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2195    1.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556    2.8885    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353535

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=O)C(O)(C[C@H]1O)C(O)CC(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C12H20O6/c1-11(2,16)6-10(15)12(17)5-7(13)8(18-3)4-9(12)14/h4,7,10,13,15-17H,5-6H2,1-3H3/t7-,10?,12?/m1/s1

> <INCHI_KEY>
GHTKZIRUBQGJEV-HJHMRBNKSA-N

> <FORMULA>
C12H20O6

> <MOLECULAR_WEIGHT>
260.286

> <EXACT_MASS>
260.125988364

$$$$

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3D-SDF for NP0353535 (Strobiloscyphone E)
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PDB for NP0353535 (Strobiloscyphone E)
HEADER    PROTEIN                                 24-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-MAR-23         0                                  
HETATM    1  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.344   3.490   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.324   3.490   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.797   4.937   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.840   3.222   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.830   4.402   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.820   5.582   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.010   3.412   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.650   5.392   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9   12                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10                                                            
CONECT   12    7   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END

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3D PDB for NP0353535 (Strobiloscyphone E)
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SMILES for NP0353535 (Strobiloscyphone E)
COC1=CC(=O)C(O)(C[C@H]1O)C(O)CC(C)(C)O
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INCHI for NP0353535 (Strobiloscyphone E)
InChI=1S/C12H20O6/c1-11(2,16)6-10(15)12(17)5-7(13)8(18-3)4-9(12)14/h4,7,10,13,15-17H,5-6H2,1-3H3/t7-,10?,12?/m1/s1
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View in JSmol
SynonymsNot Available
Chemical FormulaC12H20O6
Average Mass260.2860 Da
Monoisotopic Mass260.12599 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
COC1=CC(=O)C(O)(C[C@H]1O)C(O)CC(C)(C)O
InChI Identifier
InChI=1S/C12H20O6/c1-11(2,16)6-10(15)12(17)5-7(13)8(18-3)4-9(12)14/h4,7,10,13,15-17H,5-6H2,1-3H3/t7-,10?,12?/m1/s1
InChI KeyGHTKZIRUBQGJEV-HJHMRBNKSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Strobiloscypha sp. AZ0266
      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
  1. DOI: 10.1021/acs.jnatprod.1c00662