NP-MRD: Showing NP-Card for (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al (NP0334289)

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Record Information

Version

2.0

Created at

2024-09-09 23:00:56 UTC

Updated at

2024-09-09 23:00:57 UTC

NP-MRD ID

NP0334289

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al

Description

(3S,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al is considered to be an isoprenoid lipid molecule (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (3S,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al can be found in a number of food items such as sweet cherry, jute, sunburst squash (pattypan squash), and atlantic herring, which makes (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al a potential biomarker for the consumption of these food products.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05252301332D          

 38 39  0  0  1  0            999 V2000
    3.9039    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    8.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737    2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    2.3645    0.0000 C   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
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    7.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    7.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  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
    5.1414    6.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 O   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
    2.6664    5.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    5.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    5.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    4.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    6.6513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.9204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    3.7934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 23  1  0  0  0  0
  5 23  1  0  0  0  0
 24  6  1  1  0  0  0
  7 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 19  2  0  0  0  0
 11 33  1  0  0  0  0
 11 21  2  0  0  0  0
 12 34  1  0  0  0  0
 12 19  1  0  0  0  0
 13 35  1  0  0  0  0
 13 20  2  0  0  0  0
 14 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 37  1  0  0  0  0
 25 15  1  1  0  0  0
 22 16  1  0  0  0  0
 16 23  1  0  0  0  0
 22 17  1  0  0  0  0
 24 17  1  0  0  0  0
 18 21  1  0  0  0  0
 18 26  2  0  0  0  0
 22 38  1  1  0  0  0
 22 27  1  0  0  0  0
 25 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 28  1  0  0  0  0
M  END


  Mrv2104 05252301332D          

 38 39  0  0  1  0            999 V2000
    3.9039    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    8.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737    2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    2.3645    0.0000 C   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
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    7.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    7.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  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
    5.1414    6.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 O   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
    2.6664    5.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    5.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    5.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    4.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    6.6513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.9204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    3.7934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 23  1  0  0  0  0
  5 23  1  0  0  0  0
 24  6  1  1  0  0  0
  7 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 19  2  0  0  0  0
 11 33  1  0  0  0  0
 11 21  2  0  0  0  0
 12 34  1  0  0  0  0
 12 19  1  0  0  0  0
 13 35  1  0  0  0  0
 13 20  2  0  0  0  0
 14 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 37  1  0  0  0  0
 25 15  1  1  0  0  0
 22 16  1  0  0  0  0
 16 23  1  0  0  0  0
 22 17  1  0  0  0  0
 24 17  1  0  0  0  0
 18 21  1  0  0  0  0
 18 26  2  0  0  0  0
 22 38  1  1  0  0  0
 22 27  1  0  0  0  0
 25 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0334289

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]/C(=C(/[H])\C(\[H])=C(\C)C([H])=C([H])C(\[H])=C(\C)C([H])=C([H])[C@]12O[C@@]1(C)C[C@@]([H])(O)CC2(C)C)/C(/[H])=C(/C)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13-,21-11-/t22-,24-,25+/m0/s1

> <INCHI_KEY>
CAXVJDRXJFKYQP-WJPYCAHVSA-N

> <FORMULA>
C25H34O3

> <MOLECULAR_WEIGHT>
382.544

> <EXACT_MASS>
382.250794955

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
45.85537275967599

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2Z,4E,6Z,10Z)-13-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal

> <JCHEM_LOGP>
4.372423300000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.139684034106129

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7377022034819802

> <JCHEM_POLAR_SURFACE_AREA>
49.83

> <JCHEM_REFRACTIVITY>
122.2173

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2Z,4E,6Z,10Z)-13-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-MAY-23         0                                  
HETATM    1  C   UNK     0       7.287   5.747   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.357   7.081   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.517  15.083   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.991   5.030   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.011   5.030   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.897   0.206   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.517   9.748   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.287  11.082   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.207   8.415   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.287   8.415   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.517  12.416   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.977   7.081   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   8.415   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   5.747   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.897   4.414   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.827  13.749   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.517   7.081   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.897   7.081   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.287  13.749   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667   3.080   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.597  12.416   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       6.668   0.770   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   29  H   UNK     0       4.977   9.748   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0       8.827  11.082   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0       3.437   9.748   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0       8.827   8.415   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0       4.977  12.416   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0       4.207   5.747   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       1.334   9.185   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       3.437   7.081   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       0.357   4.414   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       6.668   2.310   0.000  0.00  0.00           H+0
CONECT    1   19                                                            
CONECT    2   20                                                            
CONECT    3   21                                                            
CONECT    4   23                                                            
CONECT    5   23                                                            
CONECT    6   24                                                            
CONECT    7   29    8   10                                                  
CONECT    8    7   30   11                                                  
CONECT    9   31   12   13                                                  
CONECT   10    7   32   19                                                  
CONECT   11    8   33   21                                                  
CONECT   12    9   34   19                                                  
CONECT   13    9   35   20                                                  
CONECT   14   36   15   20                                                  
CONECT   15   14   37   25                                                  
CONECT   16   22   23                                                       
CONECT   17   22   24                                                       
CONECT   18   21   26                                                       
CONECT   19    1   10   12                                                  
CONECT   20    2   13   14                                                  
CONECT   21    3   11   18                                                  
CONECT   22   16   17   38   27                                             
CONECT   23    4    5   16   25                                             
CONECT   24    6   17   25   28                                             
CONECT   25   15   23   24   28                                             
CONECT   26   18                                                            
CONECT   27   22                                                            
CONECT   28   24   25                                                       
CONECT   29    7                                                            
CONECT   30    8                                                            
CONECT   31    9                                                            
CONECT   32   10                                                            
CONECT   33   11                                                            
CONECT   34   12                                                            
CONECT   35   13                                                            
CONECT   36   14                                                            
CONECT   37   15                                                            
CONECT   38   22                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₄O₃

Average Mass

382.5440 Da

Monoisotopic Mass

382.25079 Da

IUPAC Name

(2Z,4E,6Z,10Z)-13-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal

Traditional Name

(2Z,4E,6Z,10Z)-13-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal

CAS Registry Number

Not Available

SMILES

[H]/C(=C(/[H])\C(\[H])=C(\C)C([H])=C([H])C(\[H])=C(\C)C([H])=C([H])[C@]12O[C@@]1(C)C[C@@]([H])(O)CC2(C)C)/C(/[H])=C(/C)C=O

InChI Identifier

InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13-,21-11-/t22-,24-,25+/m0/s1

InChI Key

CAXVJDRXJFKYQP-WJPYCAHVSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Oxepane
Enal
Cyclic alcohol
Alpha,beta-unsaturated aldehyde
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aldehyde
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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	4.37	ChemAxon
pKa (Strongest Acidic)	15.14	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	49.83 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	122.22 m³·mol⁻¹	ChemAxon
Polarizability	45.86 Å³	ChemAxon
Number of Rings	2	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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al (NP0334289)

MOL for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)

3D MOL for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)

3D SDF for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)

3D-SDF for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)

PDB for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)

3D PDB for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)

SMILES for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)

INCHI for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)

Structure for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)

3D Structure for NP0334289 ((3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-Œ≤-caroten-12'-al)