NP-MRD: Showing NP-Card for Ouratein C (NP0352829)

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Record Information

Version

2.0

Created at

2026-02-15 16:50:50 UTC

Updated at

2026-02-15 20:01:50 UTC

NP-MRD ID

NP0352829

Natural Product DOI

https://doi.org/10.57994/7125

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Ouratein C

Description

Ouratein C was first documented in 2020 (PMID: 32484349).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03162314032D          

 46 51  0  0  1  0            999 V2000
   -0.7951   -1.8867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813   -2.7072    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9676   -3.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3001   -4.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3864   -4.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2811   -5.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  2  0  0  0  0
 21 38  1  0  0  0  0
 38 39  1  0  0  0  0
  2 40  1  0  0  0  0
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 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
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 45 46  2  0  0  0  0
 40 46  1  0  0  0  0
M  END


  Mrv2104 03162314032D          

 46 51  0  0  1  0            999 V2000
   -0.7951   -1.8867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813   -2.7072    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9676   -3.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3001   -4.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3864   -4.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2811   -5.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948   -6.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8623   -6.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0348   -4.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210   -4.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747   -3.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536   -3.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5398   -2.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935   -2.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1277   -2.3716    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2139   -3.1921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -1.6180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5991   -1.4464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224   -2.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5898   -2.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368   -0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224   -0.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -0.7930    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5066   -1.2055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210   -0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3513   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7803   -0.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8836   -1.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5511   -0.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1300   -0.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -1.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  6  0  0  0
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 15 17  1  0  0  0  0
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 29 31  1  0  0  0  0
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 26 32  1  0  0  0  0
 22 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  2  0  0  0  0
 21 38  1  0  0  0  0
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  2 40  1  0  0  0  0
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 40 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0352829

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(OC2=CC(OC)=CC(O)=C2C(=O)[C@@]1([H])[C@]1([H])C(=O)C2=C(O[C@]1([H])C1=CC=C(O)C=C1)C=C(OC)C=C2O)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C32H26O10/c1-39-19-11-21(35)25-23(13-19)41-31(15-3-7-17(33)8-4-15)27(29(25)37)28-30(38)26-22(36)12-20(40-2)14-24(26)42-32(28)16-5-9-18(34)10-6-16/h3-14,27-28,31-36H,1-2H3/t27-,28-,31-,32-/m1/s1

> <INCHI_KEY>
QIEZBYYYLVYUCT-QWWQXMGCSA-N

> <FORMULA>
C32H26O10

> <MOLECULAR_WEIGHT>
570.55

> <EXACT_MASS>
570.152597037

$$$$

HEADER    PROTEIN                                 16-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAR-23         0                                  
HETATM    1  H   UNK     0      -1.484  -3.522   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      -1.645  -5.053   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.806  -6.585   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.560  -7.490   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.721  -9.022   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.525  -9.927   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.364 -11.458   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.610 -12.364   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.932  -9.301   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.093  -7.769   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.499  -7.143   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.847  -6.864   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.008  -5.332   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.414  -4.706   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -0.238  -4.427   0.000  0.00  0.00           C+0
HETATM   16  H   UNK     0      -0.399  -5.959   0.000  0.00  0.00           H+0
HETATM   17  C   UNK     0       0.388  -3.020   0.000  0.00  0.00           C+0
HETATM   18  H   UNK     0      -1.118  -2.700   0.000  0.00  0.00           H+0
HETATM   19  C   UNK     0       1.722  -3.790   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.968  -4.695   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.055  -3.020   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.055  -1.480   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.722  -0.710   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.388  -1.480   0.000  0.00  0.00           C+0
HETATM   25  H   UNK     0      -0.946  -2.250   0.000  0.00  0.00           H+0
HETATM   26  C   UNK     0      -0.946  -0.710   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.279  -1.480   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.613  -0.710   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.613   0.830   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -4.947   1.600   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -2.279   1.600   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.946   0.830   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.389  -0.710   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.723  -1.480   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       7.056  -0.710   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       8.390  -1.480   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.723  -3.020   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.389  -3.790   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.389  -5.330   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -2.891  -4.148   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -4.298  -4.775   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -5.544  -3.869   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -5.383  -2.338   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -6.629  -1.433   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -3.976  -1.711   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -2.730  -2.617   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   15   40                                             
CONECT    3    2    4                                                       
CONECT    4    3    5   12                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    4   13                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    2   16   17                                             
CONECT   16   15                                                            
CONECT   17   15   18   19   24                                             
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   38                                                  
CONECT   22   21   23   33                                                  
CONECT   23   22   24                                                       
CONECT   24   23   17   25   26                                             
CONECT   25   24                                                            
CONECT   26   24   27   32                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   26                                                       
CONECT   33   22   34                                                       
CONECT   34   33   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34   38                                                       
CONECT   38   37   21   39                                                  
CONECT   39   38                                                            
CONECT   40    2   41   46                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46                                                       
CONECT   46   45   40                                                       
MASTER        0    0    0    0    0    0    0    0   46    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₂₆O₁₀

Average Mass

570.5500 Da

Monoisotopic Mass

570.15260 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]1(OC2=CC(OC)=CC(O)=C2C(=O)[C@@]1([H])[C@]1([H])C(=O)C2=C(O[C@]1([H])C1=CC=C(O)C=C1)C=C(OC)C=C2O)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C32H26O10/c1-39-19-11-21(35)25-23(13-19)41-31(15-3-7-17(33)8-4-15)27(29(25)37)28-30(38)26-22(36)12-20(40-2)14-24(26)42-32(28)16-5-9-18(34)10-6-16/h3-14,27-28,31-36H,1-2H3/t27-,28-,31-,32-/m1/s1

InChI Key

QIEZBYYYLVYUCT-QWWQXMGCSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400.0, Acetone-d6, simulated)	epoynton@sfu.ca	Not Available	Not Available	2026-02-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.0, Acetone-d6, simulated)	epoynton@sfu.ca	Not Available	Not Available	2026-02-15	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Ouratea spectabilis		Not Available

Chemical Taxonomy

Classification

Not classified

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

External Links

Not Available

References

General References

Showing NP-Card for Ouratein C (NP0352829)

MOL for NP0352829 (Ouratein C)

3D MOL for NP0352829 (Ouratein C)

3D SDF for NP0352829 (Ouratein C)

3D-SDF for NP0352829 (Ouratein C)

PDB for NP0352829 (Ouratein C)

3D PDB for NP0352829 (Ouratein C)

SMILES for NP0352829 (Ouratein C)

INCHI for NP0352829 (Ouratein C)

Structure for NP0352829 (Ouratein C)

3D Structure for NP0352829 (Ouratein C)