Np mrd loader

Showing NP-Card for Piceid (cis-) (NP0050146)

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Record Information
Version2.0
Created at2022-03-17 21:24:00 UTC
Updated at2022-03-17 21:24:01 UTC
NP-MRD IDNP0050146
Secondary Accession NumbersNone
Natural Product Identification
Common NamePiceid (cis-)
Description(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-(hexadecanoyloxy)-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl hexadecanoate, also known as zeaxanthin dipalmitate, belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Piceid (cis-) is found in Alkekengi officinarum and Lycium chinense. Xanthophylls arise by oxygenation of the carotene backbone (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-(hexadecanoyloxy)-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl hexadecanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0050146 (Piceid (cis-) )


  Mrv1652304022019502D          

 76 77  0  0  0  0            999 V2000
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M  END
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3D MOL for NP0050146 (Piceid (cis-) )

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3D SDF for NP0050146 (Piceid (cis-) )

  Mrv1652304022019502D          

 76 77  0  0  0  0            999 V2000
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  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 59  1  0  0  0  0
  4 60  1  0  0  0  0
  5 61  1  0  0  0  0
  6 62  1  0  0  0  0
  7 63  1  0  0  0  0
  8 64  1  0  0  0  0
  9 71  1  0  0  0  0
 10 71  1  0  0  0  0
 11 72  1  0  0  0  0
 12 72  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 49  1  0  0  0  0
 38 50  1  0  0  0  0
 39 40  2  0  0  0  0
 39 43  1  0  0  0  0
 40 44  1  0  0  0  0
 41 45  2  0  0  0  0
 41 47  1  0  0  0  0
 42 46  2  0  0  0  0
 42 48  1  0  0  0  0
 43 59  2  0  0  0  0
 44 60  2  0  0  0  0
 45 59  1  0  0  0  0
 46 60  1  0  0  0  0
 47 61  2  0  0  0  0
 48 62  2  0  0  0  0
 49 69  1  0  0  0  0
 50 70  1  0  0  0  0
 51 53  2  0  0  0  0
 51 61  1  0  0  0  0
 52 54  2  0  0  0  0
 52 62  1  0  0  0  0
 53 67  1  0  0  0  0
 54 68  1  0  0  0  0
 55 63  1  0  0  0  0
 55 65  1  0  0  0  0
 56 64  1  0  0  0  0
 56 66  1  0  0  0  0
 57 65  1  0  0  0  0
 57 71  1  0  0  0  0
 58 66  1  0  0  0  0
 58 72  1  0  0  0  0
 63 67  2  0  0  0  0
 64 68  2  0  0  0  0
 65 75  1  6  0  0  0
 66 76  1  6  0  0  0
 67 71  1  0  0  0  0
 68 72  1  0  0  0  0
 69 73  2  0  0  0  0
 69 75  1  0  0  0  0
 70 74  2  0  0  0  0
 70 76  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050146

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1

> <INCHI_KEY>
XACHQDDXHDTRLX-XLVVAOPESA-N

> <FORMULA>
C72H116O4

> <MOLECULAR_WEIGHT>
1045.716

> <EXACT_MASS>
1044.887362215

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
192

> <JCHEM_AVERAGE_POLARIZABILITY>
142.50685889272052

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-(hexadecanoyloxy)-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl hexadecanoate

> <ALOGPS_LOGP>
11.01

> <JCHEM_LOGP>
22.192751850666667

> <ALOGPS_LOGS>
-7.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.741231015513359

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
342.1336000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
42

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.15e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zeaxanthin dipalmitate

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0050146 (Piceid (cis-) )
Download
PDB for NP0050146 (Piceid (cis-) )
HEADER    PROTEIN                                 02-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-APR-20         0                                  
HETATM    1  C   UNK     0      20.020  13.337   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -22.330 -41.344   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.080 -10.669   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.770 -17.338   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.080  -5.335   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.770 -22.673   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.540  -2.667   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.850 -25.340   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.720  -0.990   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.720   0.990   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.410 -27.017   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.410 -28.997   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      19.250  12.003   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -21.560 -40.010   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.710  12.003   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -20.020 -40.010   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      16.940  10.669   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -19.250 -38.677   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      15.400  10.669   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -17.710 -38.677   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.630   9.336   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -16.940 -37.343   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.090   9.336   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -15.400 -37.343   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.320   8.002   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -14.630 -36.009   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.780   8.002   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -13.090 -36.009   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.010   6.668   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -12.320 -34.676   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.470   6.668   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -10.780 -34.676   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.700   5.335   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -10.010 -33.342   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.160   5.335   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -8.470 -33.342   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.390   4.001   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -7.700 -32.008   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -1.540 -13.337   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.770 -14.671   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -1.540  -8.002   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -0.770 -20.005   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.770 -12.003   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -1.540 -16.004   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -0.770  -9.336   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -1.540 -18.672   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -0.770  -6.668   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -1.540 -21.339   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       3.850   4.001   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -6.160 -32.008   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -0.770  -4.001   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -1.540 -24.006   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -1.540  -2.667   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -0.770 -25.340   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -3.850 -28.007   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -1.540 -29.341   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -1.540 -10.669   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -0.770 -17.338   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      -1.540  -5.335   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      -0.770 -22.673   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      -3.080 -26.674   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       0.770   1.334   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      -3.080 -29.341   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      -1.540 -26.674   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0       3.080   2.667   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      -5.390 -30.675   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      -1.540   0.000   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      -0.770 -28.007   0.000  0.00  0.00           C+0
HETATM   73  O   UNK     0       3.850   1.334   0.000  0.00  0.00           O+0
HETATM   74  O   UNK     0      -6.160 -29.341   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0       1.540   2.667   0.000  0.00  0.00           O+0
HETATM   76  O   UNK     0      -3.850 -30.675   0.000  0.00  0.00           O+0
CONECT    1   13                                                            
CONECT    2   14                                                            
CONECT    3   59                                                            
CONECT    4   60                                                            
CONECT    5   61                                                            
CONECT    6   62                                                            
CONECT    7   63                                                            
CONECT    8   64                                                            
CONECT    9   71                                                            
CONECT   10   71                                                            
CONECT   11   72                                                            
CONECT   12   72                                                            
CONECT   13    1   15                                                       
CONECT   14    2   16                                                       
CONECT   15   13   17                                                       
CONECT   16   14   18                                                       
CONECT   17   15   19                                                       
CONECT   18   16   20                                                       
CONECT   19   17   21                                                       
CONECT   20   18   22                                                       
CONECT   21   19   23                                                       
CONECT   22   20   24                                                       
CONECT   23   21   25                                                       
CONECT   24   22   26                                                       
CONECT   25   23   27                                                       
CONECT   26   24   28                                                       
CONECT   27   25   29                                                       
CONECT   28   26   30                                                       
CONECT   29   27   31                                                       
CONECT   30   28   32                                                       
CONECT   31   29   33                                                       
CONECT   32   30   34                                                       
CONECT   33   31   35                                                       
CONECT   34   32   36                                                       
CONECT   35   33   37                                                       
CONECT   36   34   38                                                       
CONECT   37   35   49                                                       
CONECT   38   36   50                                                       
CONECT   39   40   43                                                       
CONECT   40   39   44                                                       
CONECT   41   45   47                                                       
CONECT   42   46   48                                                       
CONECT   43   39   59                                                       
CONECT   44   40   60                                                       
CONECT   45   41   59                                                       
CONECT   46   42   60                                                       
CONECT   47   41   61                                                       
CONECT   48   42   62                                                       
CONECT   49   37   69                                                       
CONECT   50   38   70                                                       
CONECT   51   53   61                                                       
CONECT   52   54   62                                                       
CONECT   53   51   67                                                       
CONECT   54   52   68                                                       
CONECT   55   63   65                                                       
CONECT   56   64   66                                                       
CONECT   57   65   71                                                       
CONECT   58   66   72                                                       
CONECT   59    3   43   45                                                  
CONECT   60    4   44   46                                                  
CONECT   61    5   47   51                                                  
CONECT   62    6   48   52                                                  
CONECT   63    7   55   67                                                  
CONECT   64    8   56   68                                                  
CONECT   65   55   57   75                                                  
CONECT   66   56   58   76                                                  
CONECT   67   53   63   71                                                  
CONECT   68   54   64   72                                                  
CONECT   69   49   73   75                                                  
CONECT   70   50   74   76                                                  
CONECT   71    9   10   57   67                                             
CONECT   72   11   12   58   68                                             
CONECT   73   69                                                            
CONECT   74   70                                                            
CONECT   75   65   69                                                       
CONECT   76   66   70                                                       
MASTER        0    0    0    0    0    0    0    0   76    0  154    0
END

Download
3D PDB for NP0050146 (Piceid (cis-) )
Download
SMILES for NP0050146 (Piceid (cis-) )
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C1
Download
INCHI for NP0050146 (Piceid (cis-) )
InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1
Download
View in JSmol
Synonyms
ValueSource
Zeaxanthin dipalmitateKegg
Zeaxanthin dipalmitic acidGenerator
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-(Hexadecanoyloxy)-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl hexadecanoic acidGenerator
Chemical FormulaC72H116O4
Average Mass1045.7160 Da
Monoisotopic Mass1044.88736 Da
IUPAC Name(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-(hexadecanoyloxy)-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl hexadecanoate
Traditional Namezeaxanthin dipalmitate
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C1
InChI Identifier
InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1
InChI KeyXACHQDDXHDTRLX-XLVVAOPESA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Alkekengi officinarum var. franchetiiLOTUS Database
Fragaria x ananassaFooDB
Lycium chinenseLOTUS Database
Malus pumilaFooDB
Pistacia veraFooDB
Solanum lycopersicumFooDB
Vaccinium vitis-idaeaFooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassPrenol lipids  
Sub ClassTetraterpenoids  
Direct ParentXanthophylls  
Alternative Parents
Substituents
  • Xanthophyll
    • 

  • Fatty acid ester
    • 

  • Fatty acyl
    • 

  • Dicarboxylic acid or derivatives
    • 

  • Carboxylic acid ester
    • 

  • Carboxylic acid derivative
    • 

  • Organic oxygen compound
    • 

  • Organic oxide
    • 

  • Hydrocarbon derivative
    • 

  • Organooxygen compound
    • 

  • Carbonyl group
    • 

  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
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
logP11.01ALOGPS
logP22.19ChemAxon
logS-7.2ALOGPS
pKa (Strongest Basic)-6.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.6 ŲChemAxon
Rotatable Bond Count42ChemAxon
Refractivity342.13 m³·mol⁻¹ChemAxon
Polarizability142.51 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00003783  
Chemspider IDNot Available
KEGG Compound IDC08609  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5281250  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available