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Showing metabocard for Fenchol (HMDB0034932)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:51:50 UTC
Update Date2022-03-07 02:54:17 UTC
HMDB IDHMDB0034932
Secondary Accession Numbers
  • HMDB34932
Metabolite Identification
Common NameFenchol
DescriptionFenchol, also known as endo-fenchol or fenchyl alcohol, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Based on a literature review a small amount of articles have been published on Fenchol.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0034932 (Fenchol)


  Mrv0541 02241220102D          

 11 12  0  0  0  0            999 V2000
    0.1665   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -1.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3013    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338    0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338   -0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3013   -0.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0034932 (Fenchol)

HMDB0034932
     RDKit          3D
Fenchol
 29 30  0  0  0  0  0  0  0  0999 V2000
    2.1948   -0.0555   -1.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891   -0.0485   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033   -0.6886    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6277   -0.0791    1.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2410    0.8789    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270    1.3614    0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    0.0745    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9801   -0.9268    0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0307    0.9404   -0.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1558   -0.6044   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968   -0.4313   -2.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.1683   -2.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9273    0.7638   -1.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -1.0511   -1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483   -0.3757    1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -1.7713    0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550   -0.8322    2.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293    0.5645    2.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6916    1.6651    1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003    1.9712   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6934    1.7659    0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174   -1.9738    0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9437   -0.8210    1.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0701   -0.8248    0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    1.9517   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0175    0.9939   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2281    0.3795   -1.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355   -1.7066   -0.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741   -1.2884   -2.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
  6  2  1  0
 10  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
  9 27  1  0
 10 28  1  0
 11 29  1  0
M  END
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3D SDF for HMDB0034932 (Fenchol)


  Mrv0541 02241220102D          

 11 12  0  0  0  0            999 V2000
    0.1665   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -1.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3013    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338    0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338   -0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3013   -0.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034932

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1(C)C2CCC(C)(C2)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3

> <INCHI_KEY>
IAIHUHQCLTYTSF-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.50682895893944

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

> <ALOGPS_LOGP>
2.30

> <JCHEM_LOGP>
2.1453653443333334

> <ALOGPS_LOGS>
-2.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5162855018399258

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.1603

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.71e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-fenchol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0034932 (Fenchol)

HMDB0034932
     RDKit          3D
Fenchol
 29 30  0  0  0  0  0  0  0  0999 V2000
    2.1948   -0.0555   -1.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891   -0.0485   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033   -0.6886    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6277   -0.0791    1.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2410    0.8789    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270    1.3614    0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    0.0745    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9801   -0.9268    0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0307    0.9404   -0.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1558   -0.6044   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968   -0.4313   -2.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.1683   -2.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9273    0.7638   -1.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -1.0511   -1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483   -0.3757    1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -1.7713    0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550   -0.8322    2.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293    0.5645    2.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6916    1.6651    1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003    1.9712   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6934    1.7659    0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174   -1.9738    0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9437   -0.8210    1.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0701   -0.8248    0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    1.9517   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0175    0.9939   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2281    0.3795   -1.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355   -1.7066   -0.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741   -1.2884   -2.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
  6  2  1  0
 10  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
  9 27  1  0
 10 28  1  0
 11 29  1  0
M  END
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PDB for HMDB0034932 (Fenchol)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.311  -0.748   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.809  -2.243   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.429   0.748   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.432   2.243   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.062   1.744   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.183   0.872   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.183  -0.374   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.055  -1.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.429  -0.249   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.183   0.623   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.180   1.744   0.000  0.00  0.00           C+0
CONECT    1    2    7   10                                                  
CONECT    2    1                                                            
CONECT    3    4    7                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    1    3    6    8                                             
CONECT    8    7                                                            
CONECT    9   10                                                            
CONECT   10    1    5    9   11                                             
CONECT   11   10                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   24    0
END
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3D PDB for HMDB0034932 (Fenchol)

COMPND    HMDB0034932
HETATM    1  C1  UNL     1       2.195  -0.056  -1.496  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.189  -0.048  -0.426  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.603  -0.689   0.864  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.628  -0.079   1.870  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.241   0.879   1.063  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.827   1.361   0.067  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.122   0.074   0.170  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.980  -0.927   0.896  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.031   0.940  -0.664  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.156  -0.604  -0.792  1.00  0.00           C  
HETATM   11  O1  UNL     1      -0.497  -0.431  -2.106  1.00  0.00           O  
HETATM   12  H1  UNL     1       1.713   0.168  -2.463  1.00  0.00           H  
HETATM   13  H2  UNL     1       2.927   0.764  -1.318  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.682  -1.051  -1.534  1.00  0.00           H  
HETATM   15  H4  UNL     1       2.648  -0.376   1.083  1.00  0.00           H  
HETATM   16  H5  UNL     1       1.476  -1.771   0.824  1.00  0.00           H  
HETATM   17  H6  UNL     1       0.055  -0.832   2.405  1.00  0.00           H  
HETATM   18  H7  UNL     1       1.229   0.564   2.572  1.00  0.00           H  
HETATM   19  H8  UNL     1      -0.692   1.665   1.629  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.400   1.971  -0.723  1.00  0.00           H  
HETATM   21  H10 UNL     1       1.693   1.766   0.586  1.00  0.00           H  
HETATM   22  H11 UNL     1      -1.717  -1.974   0.585  1.00  0.00           H  
HETATM   23  H12 UNL     1      -1.944  -0.821   1.997  1.00  0.00           H  
HETATM   24  H13 UNL     1      -3.070  -0.825   0.629  1.00  0.00           H  
HETATM   25  H14 UNL     1      -1.662   1.952  -0.821  1.00  0.00           H  
HETATM   26  H15 UNL     1      -3.018   0.994  -0.148  1.00  0.00           H  
HETATM   27  H16 UNL     1      -2.228   0.380  -1.615  1.00  0.00           H  
HETATM   28  H17 UNL     1      -0.136  -1.707  -0.576  1.00  0.00           H  
HETATM   29  H18 UNL     1      -0.774  -1.288  -2.558  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    6   10
CONECT    3    4   15   16
CONECT    4    5   17   18
CONECT    5    6    7   19
CONECT    6   20   21
CONECT    7    8    9   10
CONECT    8   22   23   24
CONECT    9   25   26   27
CONECT   10   11   28
CONECT   11   29
END
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SMILES for HMDB0034932 (Fenchol)

CC1(C)C2CCC(C)(C2)C1O
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INCHI for HMDB0034932 (Fenchol)

InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1,3,3-Trimethyl-2-norbornanolMeSH
endo-FencholMeSH
Fenchol, ((endo)-(+-))-isomerMeSH
Fenchol, ((exo)-(+-))-isomerMeSH
Fenchol, (1R-endo)-isomerMeSH
Fenchol, (1S-endo)-isomerMeSH
Fenchol, (1S-exo)-isomerMeSH
Fenchol, (endo)-isomerMeSH
Fenchol, (exo)-isomerMeSH
Fenchyl alcoholMeSH
1,3,3-trimethylbicyclo(2.2.1)Heptan-2-olHMDB
2-FenchanolHMDB
3,3-Dimethyl-8,9-dinorbornan-2-olHMDB
FEMA 2480HMDB
Fenchylic alcoholHMDB
FencholMeSH
Chemical FormulaC10H18O
Average Molecular Weight154.2493
Monoisotopic Molecular Weight154.135765198
IUPAC Name1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
Traditional Name(+)-fenchol
CAS Registry Number1632-73-1
SMILES
CC1(C)C2CCC(C)(C2)C1O
InChI Identifier
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
InChI KeyIAIHUHQCLTYTSF-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentBicyclic monoterpenoids
Alternative Parents
Substituents
  • Fenchane monoterpenoid
  • Bicyclic monoterpenoid
  • Cyclic alcohol
  • Secondary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting Point35.00 to 40.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Boiling Point201.00 to 202.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility461.4 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.550 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.87 g/LALOGPS
logP2.3ALOGPS
logP2.15ChemAxon
logS-2.2ALOGPS
pKa (Strongest Basic)-0.52ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity45.16 m³·mol⁻¹ChemAxon
Polarizability18.51 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+131.62631661259
DarkChem[M-H]-126.84331661259
DeepCCS[M+H]+140.94730932474
DeepCCS[M-H]-137.81330932474
DeepCCS[M-2H]-174.7430932474
DeepCCS[M+Na]+150.1430932474
AllCCS[M+H]+133.732859911
AllCCS[M+H-H2O]+129.432859911
AllCCS[M+NH4]+137.732859911
AllCCS[M+Na]+138.932859911
AllCCS[M-H]-137.332859911
AllCCS[M+Na-2H]-138.632859911
AllCCS[M+HCOO]-140.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
FencholCC1(C)C2CCC(C)(C2)C1O1551.9Standard polar33892256
FencholCC1(C)C2CCC(C)(C2)C1O1122.3Standard non polar33892256
FencholCC1(C)C2CCC(C)(C2)C1O1128.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Fenchol,1TMS,isomer #1CC12CCC(C1)C(C)(C)C2O[Si](C)(C)C1196.3Semi standard non polar33892256
Fenchol,1TBDMS,isomer #1CC12CCC(C1)C(C)(C)C2O[Si](C)(C)C(C)(C)C1437.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9000000000-03610ff0a989a69cf4782017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9100000000-2391ca66f3cd432bb0a22017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9200000000-5ec7cae22ebff36623282017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9000000000-6704d50bcfa35df1f8862017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9100000000-97c1aaad48d62ad0ab302017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9200000000-de1f34c5e46838e35a672017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9000000000-03610ff0a989a69cf4782018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9100000000-2391ca66f3cd432bb0a22018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9200000000-5ec7cae22ebff36623282018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9000000000-6704d50bcfa35df1f8862018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9100000000-97c1aaad48d62ad0ab302018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Fenchol EI-B (Non-derivatized)splash10-001i-9200000000-de1f34c5e46838e35a672018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenchol GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9400000000-5297f0b29688722df06c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenchol GC-MS (1 TMS) - 70eV, Positivesplash10-01x0-9520000000-7835ad73884f9d0dbde82017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenchol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 10V, Positive-QTOFsplash10-052r-0900000000-ed507d1b1719e12edbc12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 20V, Positive-QTOFsplash10-052r-1900000000-0fe0191c4bde6f56fa8c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 40V, Positive-QTOFsplash10-05aa-9500000000-f103d6927c834ced27782016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 10V, Negative-QTOFsplash10-0udi-0900000000-d7f7c5b94ca90ef600002016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 20V, Negative-QTOFsplash10-0udi-0900000000-4ebc0294913d58ac18f52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 40V, Negative-QTOFsplash10-0fe0-2900000000-b92c9da7506b101aadc12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 10V, Negative-QTOFsplash10-0udi-0900000000-d2363ae8d4dbdcccda802021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 20V, Negative-QTOFsplash10-0udi-0900000000-d2363ae8d4dbdcccda802021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 40V, Negative-QTOFsplash10-0udi-0900000000-459bafe52d5b103e88a62021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 10V, Positive-QTOFsplash10-0a4i-3900000000-4094f7230adb483cf7e52021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 20V, Positive-QTOFsplash10-0a5c-6900000000-aabed757c552780da4722021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenchol 40V, Positive-QTOFsplash10-053i-9600000000-6fa6ff11a1ac49887bb32021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB013522
KNApSAcK IDC00052276
Chemspider ID14665
KEGG Compound IDC02344
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFenchol
METLIN IDNot Available
PubChem Compound15406
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1011531
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.