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Showing NP-Card for Strobiloscyphone B (NP0353689)

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Record Information
Version2.0
Created at2026-02-24 16:53:39 UTC
Updated at2026-02-24 20:01:31 UTC
NP-MRD IDNP0353689
Natural Product DOIhttps://doi.org/10.57994/8228
Secondary Accession NumbersNone
Natural Product Identification
Common NameStrobiloscyphone B
Description Strobiloscyphone B was first documented in 2021 (PMID: 34495663).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0353689 (Strobiloscyphone B)


  Mrv2104 03252314052D          

 17 18  0  0  1  0            999 V2000
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  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
    1.4289    0.8250    0.0000 C   0  0  1  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
    1.4289    1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.1105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1914    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -1.3184    0.0000 C   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
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
  7 12  1  6  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
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3D MOL for NP0353689 (Strobiloscyphone B)

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3D SDF for NP0353689 (Strobiloscyphone B)

  Mrv2104 03252314052D          

 17 18  0  0  1  0            999 V2000
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  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
    1.4289    0.8250    0.0000 C   0  0  1  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
    1.4289    1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.1105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1914    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -1.3184    0.0000 C   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
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
  7 12  1  6  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353689

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=O)[C@]2(O[C@H]2[C@H]1O)[C@@H](O)C=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C12H16O5/c1-6(2)4-8(13)12-9(14)5-7(16-3)10(15)11(12)17-12/h4-5,8,10-11,13,15H,1-3H3/t8-,10-,11-,12+/m0/s1

> <INCHI_KEY>
SLUGLTRVNZBPDS-PDEGPIFNSA-N

> <FORMULA>
C12H16O5

> <MOLECULAR_WEIGHT>
240.255

> <EXACT_MASS>
240.099773615

$$$$

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3D-SDF for NP0353689 (Strobiloscyphone B)
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PDB for NP0353689 (Strobiloscyphone B)
HEADER    PROTEIN                                 25-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-MAR-23         0                                  
HETATM    1  C   UNK     0       6.668   5.390   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.667   3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.001   5.390   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.897   0.206   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.357   0.206   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.667  -1.127   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.897  -2.461   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -3.795   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.357  -2.461   0.000  0.00  0.00           C+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    9                                                       
CONECT    9    8    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                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

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3D PDB for NP0353689 (Strobiloscyphone B)
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SMILES for NP0353689 (Strobiloscyphone B)
COC1=CC(=O)[C@]2(O[C@H]2[C@H]1O)[C@@H](O)C=C(C)C
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INCHI for NP0353689 (Strobiloscyphone B)
InChI=1S/C12H16O5/c1-6(2)4-8(13)12-9(14)5-7(16-3)10(15)11(12)17-12/h4-5,8,10-11,13,15H,1-3H3/t8-,10-,11-,12+/m0/s1
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SynonymsNot Available
Chemical FormulaC12H16O5
Average Mass240.2550 Da
Monoisotopic Mass240.09977 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
COC1=CC(=O)[C@]2(O[C@H]2[C@H]1O)[C@@H](O)C=C(C)C
InChI Identifier
InChI=1S/C12H16O5/c1-6(2)4-8(13)12-9(14)5-7(16-3)10(15)11(12)17-12/h4-5,8,10-11,13,15H,1-3H3/t8-,10-,11-,12+/m0/s1
InChI KeySLUGLTRVNZBPDS-PDEGPIFNSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 400.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-24View Spectrum
1D NMR13C NMR Spectrum (1D, 100.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-24View Spectrum
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