NP-MRD: Showing NP-Card for 7-oxo-7,8-dihydroscutione (NP0035719)

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Record Information

Version

2.0

Created at

2021-06-20 19:05:12 UTC

Updated at

2021-06-30 00:06:54 UTC

NP-MRD ID

NP0035719

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-oxo-7,8-dihydroscutione

Provided By

JEOL Database JEOL Logo

Description

7-oxo-7,8-dihydroscutione is found in Maytenus retusa. 7-oxo-7,8-dihydroscutione was first documented in 2010 (Oramas-Royo, S. M., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202121053D          

 66 70  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652306202121053D          

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   -5.1088   -2.4363    0.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500   -2.4040   -1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  2  0  0  0  0
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 30 29  1  0  0  0  0
 29 27  1  0  0  0  0
 27 25  1  0  0  0  0
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  9  8  1  0  0  0  0
 11 12  2  0  0  0  0
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  4  3  1  0  0  0  0
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  5  6  2  0  0  0  0
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  1 33  1  0  0  0  0
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  1 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0035719

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(C2=C([H])C(=O)[C@@]3([H])C4=C(C([H])([H])[H])C([H])([H])[C@@]5(C([H])([H])[H])C([H])([H])C(=O)[C@]([H])(C([H])([H])[H])C([H])([H])[C@]5([H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C2=C([H])C1=O)C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C28H34O4/c1-14-9-22-26(4,13-21(14)31)12-15(2)23-24-19(29)10-17-16(3)25(32)20(30)11-18(17)27(24,5)7-8-28(22,23)6/h10-11,14,22,24,32H,7-9,12-13H2,1-6H3/t14-,22+,24+,26+,27+,28+/m1/s1

> <INCHI_KEY>
LUSKWXDBHNQVEL-UOBLCMFSSA-N

> <FORMULA>
C28H34O4

> <MOLECULAR_WEIGHT>
434.576

> <EXACT_MASS>
434.245709575

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
49.52250764131499

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6aR,8aS,11R,12aS,12bS,14aR)-3-hydroxy-4,7,8a,11,12b,14a-hexamethyl-2,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicene-2,6,10-trione

> <ALOGPS_LOGP>
4.01

> <JCHEM_LOGP>
4.295292314666668

> <ALOGPS_LOGS>
-5.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.54534599129321

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.534949802431122

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5576729472769033

> <JCHEM_POLAR_SURFACE_AREA>
71.44

> <JCHEM_REFRACTIVITY>
127.67199999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.56e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6aR,8aS,11R,12aS,12bS,14aR)-3-hydroxy-4,7,8a,11,12b,14a-hexamethyl-6a,8,9,11,12,12a,13,14-octahydropicene-2,6,10-trione

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 66 70  0  0  0  0  0  0  0  0999 V2000
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  1 35  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0      -3.561   2.426  -0.233  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.918   1.089  -0.516  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.609   0.910  -0.830  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.592   2.071  -0.735  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.294   2.650  -2.113  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.113   2.676  -3.033  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.006   3.309  -2.342  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.973   3.404  -1.414  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.806   2.756  -0.098  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.675   3.067   0.883  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.810   3.985   0.663  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.559   4.321   1.576  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.069   4.457  -0.723  0.00  0.00           C+0
HETATM   14  O   UNK     0       5.220   5.200  -0.921  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.210   4.165  -1.717  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.491   4.617  -3.130  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.678   1.714   0.089  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.245   1.636   1.585  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.246   0.336  -0.335  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.201  -0.785  -0.366  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.039  -0.473  -1.242  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.583  -0.423  -2.731  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.122  -1.635  -1.185  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.529  -3.063  -1.092  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.598  -4.149  -1.267  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.993  -5.537  -1.083  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.741  -3.899  -0.296  0.00  0.00           C+0
HETATM   28  O   UNK     0      -4.214  -4.777   0.423  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.341  -2.511  -0.330  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.256  -1.424  -0.143  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.777  -1.476   1.325  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.902  -0.053  -0.428  0.00  0.00           C+0
HETATM   33  H   UNK     0      -4.575   2.455  -0.650  0.00  0.00           H+0
HETATM   34  H   UNK     0      -3.032   3.266  -0.690  0.00  0.00           H+0
HETATM   35  H   UNK     0      -3.630   2.591   0.846  0.00  0.00           H+0
HETATM   36  H   UNK     0      -1.050   2.917  -0.205  0.00  0.00           H+0
HETATM   37  H   UNK     0       1.077   3.759  -3.327  0.00  0.00           H+0
HETATM   38  H   UNK     0       2.642   2.646   1.880  0.00  0.00           H+0
HETATM   39  H   UNK     0       5.628   5.279  -0.032  0.00  0.00           H+0
HETATM   40  H   UNK     0       2.758   5.365  -3.450  0.00  0.00           H+0
HETATM   41  H   UNK     0       3.460   3.767  -3.821  0.00  0.00           H+0
HETATM   42  H   UNK     0       4.481   5.072  -3.243  0.00  0.00           H+0
HETATM   43  H   UNK     0       0.017   2.632   1.982  0.00  0.00           H+0
HETATM   44  H   UNK     0       1.021   1.187   2.215  0.00  0.00           H+0
HETATM   45  H   UNK     0      -0.653   1.029   1.727  0.00  0.00           H+0
HETATM   46  H   UNK     0       1.727   0.405  -1.318  0.00  0.00           H+0
HETATM   47  H   UNK     0       2.048   0.035   0.353  0.00  0.00           H+0
HETATM   48  H   UNK     0      -0.099  -1.015   0.661  0.00  0.00           H+0
HETATM   49  H   UNK     0       0.710  -1.684  -0.736  0.00  0.00           H+0
HETATM   50  H   UNK     0       0.250   0.261  -2.910  0.00  0.00           H+0
HETATM   51  H   UNK     0      -0.243  -1.405  -3.079  0.00  0.00           H+0
HETATM   52  H   UNK     0      -1.406  -0.111  -3.386  0.00  0.00           H+0
HETATM   53  H   UNK     0      -2.637  -1.607  -2.160  0.00  0.00           H+0
HETATM   54  H   UNK     0      -1.024  -3.202  -0.129  0.00  0.00           H+0
HETATM   55  H   UNK     0      -0.767  -3.204  -1.868  0.00  0.00           H+0
HETATM   56  H   UNK     0      -3.020  -4.088  -2.278  0.00  0.00           H+0
HETATM   57  H   UNK     0      -1.593  -5.668  -0.071  0.00  0.00           H+0
HETATM   58  H   UNK     0      -2.747  -6.316  -1.242  0.00  0.00           H+0
HETATM   59  H   UNK     0      -1.180  -5.707  -1.796  0.00  0.00           H+0
HETATM   60  H   UNK     0      -5.109  -2.436   0.449  0.00  0.00           H+0
HETATM   61  H   UNK     0      -4.850  -2.404  -1.296  0.00  0.00           H+0
HETATM   62  H   UNK     0      -2.092  -0.665   1.571  0.00  0.00           H+0
HETATM   63  H   UNK     0      -2.277  -2.419   1.567  0.00  0.00           H+0
HETATM   64  H   UNK     0      -3.627  -1.381   2.012  0.00  0.00           H+0
HETATM   65  H   UNK     0      -4.635   0.157   0.363  0.00  0.00           H+0
HETATM   66  H   UNK     0      -4.465  -0.081  -1.371  0.00  0.00           H+0
CONECT    1    2   33   34   35                                             
CONECT    2    3   32    1                                                  
CONECT    3    2    4   21                                                  
CONECT    4    5   17    3   36                                             
CONECT    5    7    4    6                                                  
CONECT    6    5                                                            
CONECT    7    8    5   37                                                  
CONECT    8    7   15    9                                                  
CONECT    9   17   10    8                                                  
CONECT   10    9   11   38                                                  
CONECT   11   12   13   10                                                  
CONECT   12   11                                                            
CONECT   13   14   11   15                                                  
CONECT   14   13   39                                                       
CONECT   15    8   16   13                                                  
CONECT   16   15   40   41   42                                             
CONECT   17    9    4   19   18                                             
CONECT   18   17   43   44   45                                             
CONECT   19   17   20   46   47                                             
CONECT   20   21   19   48   49                                             
CONECT   21   23   20   22    3                                             
CONECT   22   21   50   51   52                                             
CONECT   23   21   30   24   53                                             
CONECT   24   23   25   54   55                                             
CONECT   25   27   24   26   56                                             
CONECT   26   25   57   58   59                                             
CONECT   27   29   25   28                                                  
CONECT   28   27                                                            
CONECT   29   30   27   60   61                                             
CONECT   30   32   23   29   31                                             
CONECT   31   30   62   63   64                                             
CONECT   32    2   30   65   66                                             
CONECT   33    1                                                            
CONECT   34    1                                                            
CONECT   35    1                                                            
CONECT   36    4                                                            
CONECT   37    7                                                            
CONECT   38   10                                                            
CONECT   39   14                                                            
CONECT   40   16                                                            
CONECT   41   16                                                            
CONECT   42   16                                                            
CONECT   43   18                                                            
CONECT   44   18                                                            
CONECT   45   18                                                            
CONECT   46   19                                                            
CONECT   47   19                                                            
CONECT   48   20                                                            
CONECT   49   20                                                            
CONECT   50   22                                                            
CONECT   51   22                                                            
CONECT   52   22                                                            
CONECT   53   23                                                            
CONECT   54   24                                                            
CONECT   55   24                                                            
CONECT   56   25                                                            
CONECT   57   26                                                            
CONECT   58   26                                                            
CONECT   59   26                                                            
CONECT   60   29                                                            
CONECT   61   29                                                            
CONECT   62   31                                                            
CONECT   63   31                                                            
CONECT   64   31                                                            
CONECT   65   32                                                            
CONECT   66   32                                                            
MASTER        0    0    0    0    0    0    0    0   66    0  140    0
END

RDKit          3D

66 70  0  0  0  0  0  0  0  0999 V2000
   -3.5613    2.4265   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9176    1.0893   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6780    1.7137    0.0894 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.7414   -3.8993   -0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6416    2.6464    1.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4601    3.7668   -3.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4806    5.0719   -3.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2495    0.2606   -2.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2429   -1.4046   -3.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4057   -0.1114   -3.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368   -1.6070   -2.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0243   -3.2022   -0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671   -3.2044   -1.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0199   -4.0883   -2.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8500   -2.4040   -1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917   -0.6651    1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2772   -2.4188    1.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6274   -1.3809    2.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6350    0.1572    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4651   -0.0805   -1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 17  1  0
 21 23  1  0
  3  2  2  0
  2 32  1  0
 32 30  1  0
 23 30  1  0
  8  7  2  0
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  5  4  1  0
 17  4  1  0
 15  8  1  0
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  9  8  1  0
 11 12  2  0
 27 28  2  0
 17 19  1  0
 17 18  1  1
  4  3  1  0
 30 31  1  1
 21 20  1  0
 25 26  1  0
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 21 22  1  6
 21  3  1  0
 13 14  1  0
 11 13  1  0
 15 16  1  0
 11 10  1  0
  5  6  2  0
 13 15  2  0
  2  1  1  0
 10 38  1  0
  7 37  1  0
  4 36  1  1
 20 48  1  0
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 19 46  1  0
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 32 65  1  0
 32 66  1  0
 23 53  1  6
 29 60  1  0
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 25 56  1  6
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 18 43  1  0
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 31 64  1  0
 26 57  1  0
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 22 50  1  0
 22 51  1  0
 22 52  1  0
 14 39  1  0
 16 40  1  0
 16 41  1  0
 16 42  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₄O₄

Average Mass

434.5760 Da

Monoisotopic Mass

434.24571 Da

IUPAC Name

(6aR,8aS,11R,12aS,12bS,14aR)-3-hydroxy-4,7,8a,11,12b,14a-hexamethyl-2,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicene-2,6,10-trione

Traditional Name

(6aR,8aS,11R,12aS,12bS,14aR)-3-hydroxy-4,7,8a,11,12b,14a-hexamethyl-6a,8,9,11,12,12a,13,14-octahydropicene-2,6,10-trione

CAS Registry Number

Not Available

SMILES

[H]OC1=C(C2=C([H])C(=O)[C@@]3([H])C4=C(C([H])([H])[H])C([H])([H])[C@@]5(C([H])([H])[H])C([H])([H])C(=O)[C@]([H])(C([H])([H])[H])C([H])([H])[C@]5([H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C2=C([H])C1=O)C([H])([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C28H34O4/c1-14-9-22-26(4,13-21(14)31)12-15(2)23-24-19(29)10-17-16(3)25(32)20(30)11-18(17)27(24,5)7-8-28(22,23)6/h10-11,14,22,24,32H,7-9,12-13H2,1-6H3/t14-,22+,24+,26+,27+,28+/m1/s1

InChI Key

LUSKWXDBHNQVEL-UOBLCMFSSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Maytenus retusa	JEOL database	Oramas-Royo, S. M., et al, J. Nat. Prod. 73, 2029 (2010)

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
logP	4.01	ALOGPS
logP	4.3	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	9.53	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	71.44 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	127.67 m³·mol⁻¹	ChemAxon
Polarizability	49.52 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Oramas-Royo, S. M., et al. (2010). Oramas-Royo, S. M., et al, J. Nat. Prod. 73, 2029 (2010). J. Nat. Prod..

Showing NP-Card for 7-oxo-7,8-dihydroscutione (NP0035719)

MOL for NP0035719 (7-oxo-7,8-dihydroscutione)

3D MOL for NP0035719 (7-oxo-7,8-dihydroscutione)

3D SDF for NP0035719 (7-oxo-7,8-dihydroscutione)

3D-SDF for NP0035719 (7-oxo-7,8-dihydroscutione)

PDB for NP0035719 (7-oxo-7,8-dihydroscutione)

3D PDB for NP0035719 (7-oxo-7,8-dihydroscutione)

SMILES for NP0035719 (7-oxo-7,8-dihydroscutione)

INCHI for NP0035719 (7-oxo-7,8-dihydroscutione)

Structure for NP0035719 (7-oxo-7,8-dihydroscutione)

3D Structure for NP0035719 (7-oxo-7,8-dihydroscutione)