NP-MRD: Showing NP-Card for Euphnerin B (NP0352946)


  Mrv2104 03172305112D          

 23 25  0  0  1  0            999 V2000
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926    1.0010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8708    1.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901    0.5881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5267    1.1130    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4762    1.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2225    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926   -0.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1481   -1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649   -0.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761   -0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5132    0.2061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7338   -0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9351   -0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1363   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843    0.6189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5635    1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939    1.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088    0.7309    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
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
  2 21  1  0  0  0  0
 19 22  1  6  0  0  0
 22 23  2  0  0  0  0
M  END


  Mrv2104 03172305112D          

 23 25  0  0  1  0            999 V2000
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926    1.0010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8708    1.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901    0.5881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5267    1.1130    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4762    1.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2225    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926   -0.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1481   -1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649   -0.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761   -0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5132    0.2061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7338   -0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9351   -0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1363   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843    0.6189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5635    1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939    1.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088    0.7309    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
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
  2 21  1  0  0  0  0
 19 22  1  6  0  0  0
 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0352946

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC[C@@]3([C@H](O)CCC3(C)C)C(=O)[C@@]1(C)CC[C@@](C)(C2)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C20H32O2/c1-6-18(4)11-12-19(5)14(13-18)7-10-20(16(19)22)15(21)8-9-17(20,2)3/h6,14-15,21H,1,7-13H2,2-5H3/t14-,15+,18-,19-,20+/m0/s1

> <INCHI_KEY>
BIDPCINQLQMYCZ-SBCNTATESA-N

> <FORMULA>
C20H32O2

> <MOLECULAR_WEIGHT>
304.474

> <EXACT_MASS>
304.24023027

$$$$

HEADER    PROTEIN                                 17-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAR-23         0                                  
HETATM    1  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       2.413   1.869   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.492   2.967   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.983   2.582   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.395   1.098   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.583   2.078   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.489   3.615   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       7.882   1.250   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.497  -0.241   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.960  -0.335   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.876  -1.873   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.601  -1.060   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.316  -0.001   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.249  -1.539   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.825   0.385   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.236  -1.099   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.745  -0.714   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.254  -0.329   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.157   1.155   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.052   2.409   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.922   2.254   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.547   0.492   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.816   1.364   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   15   21                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10   13                                             
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    5   11   12                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    5   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    2   16   17                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19    2                                                       
CONECT   22   19   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

Showing NP-Card for Euphnerin B (NP0352946)

MOL for NP0352946 (Euphnerin B)

3D MOL for NP0352946 (Euphnerin B)

3D SDF for NP0352946 (Euphnerin B)

3D-SDF for NP0352946 (Euphnerin B)

PDB for NP0352946 (Euphnerin B)

3D PDB for NP0352946 (Euphnerin B)

SMILES for NP0352946 (Euphnerin B)

INCHI for NP0352946 (Euphnerin B)

Structure for NP0352946 (Euphnerin B)

3D Structure for NP0352946 (Euphnerin B)