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Showing metabocard for cis-p-2-Menthen-1-ol (HMDB0302875)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 21:22:07 UTC
Update Date2021-09-23 21:22:08 UTC
HMDB IDHMDB0302875
Secondary Accession NumbersNone
Metabolite Identification
Common Namecis-p-2-Menthen-1-ol
DescriptionCis-p-2-menthen-1-ol is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Cis-p-2-menthen-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-p-2-menthen-1-ol can be found in pepper (spice), which makes cis-p-2-menthen-1-ol a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302875 (cis-p-2-Menthen-1-ol)


  Mrv0541 02241220532D          

 11 11  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0302875 (cis-p-2-Menthen-1-ol)

HMDB0302875
     RDKit          3D
cis-p-2-Menthen-1-ol
 29 29  0  0  0  0  0  0  0  0999 V2000
   -2.1427    1.2195   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028    0.0700    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0187   -1.2292   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8804    0.1612    1.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0156    0.2158    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892    0.2124   -1.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7910    0.3583   -1.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5969    0.5104   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9643    0.4569   -0.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2002   -0.4107    0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7509   -0.8238    0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374    1.0301   -1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5331    2.1335   -0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1239    1.4215   -0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0680   -1.3480   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4548   -2.0930   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372   -1.2498   -1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909    0.9808    2.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9469    0.4300    1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6772   -0.8195    2.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2487    1.2076    0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589    0.0979   -2.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2612    0.3683   -2.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    1.5633    0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974   -0.4464   -0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831   -1.2874    0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3330    0.0759    1.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200   -1.7641    0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3561   -1.0413    1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11  5  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
  8 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
M  END
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3D SDF for HMDB0302875 (cis-p-2-Menthen-1-ol)


  Mrv0541 02241220532D          

 11 11  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302875

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)(C)C1CCC(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6,8-9,11H,5,7H2,1-3H3

> <INCHI_KEY>
NGXNAIZTJAUMGV-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.538640678043762

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-tert-butylcyclohex-2-en-1-ol

> <ALOGPS_LOGP>
2.75

> <JCHEM_LOGP>
2.393333244000001

> <ALOGPS_LOGS>
-2.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.320583005883773

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7837769932264376

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.4114

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.06e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-tert-butylcyclohex-2-en-1-ol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302875 (cis-p-2-Menthen-1-ol)

HMDB0302875
     RDKit          3D
cis-p-2-Menthen-1-ol
 29 29  0  0  0  0  0  0  0  0999 V2000
   -2.1427    1.2195   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028    0.0700    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0187   -1.2292   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8804    0.1612    1.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0156    0.2158    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892    0.2124   -1.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7910    0.3583   -1.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5969    0.5104   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9643    0.4569   -0.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2002   -0.4107    0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7509   -0.8238    0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374    1.0301   -1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5331    2.1335   -0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1239    1.4215   -0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0680   -1.3480   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4548   -2.0930   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372   -1.2498   -1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909    0.9808    2.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9469    0.4300    1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6772   -0.8195    2.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2487    1.2076    0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589    0.0979   -2.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2612    0.3683   -2.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    1.5633    0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974   -0.4464   -0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831   -1.2874    0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3330    0.0759    1.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200   -1.7641    0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3561   -1.0413    1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11  5  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
  8 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
M  END
Download

PDB for HMDB0302875 (cis-p-2-Menthen-1-ol)

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  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.206  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.874  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10    5   11                                                       
CONECT   11   10    2                                                       
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0302875 (cis-p-2-Menthen-1-ol)

COMPND    HMDB0302875
HETATM    1  C1  UNL     1      -2.143   1.220  -0.620  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.503   0.070   0.110  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.019  -1.229  -0.413  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.880   0.161   1.580  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.016   0.216   0.017  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.489   0.212  -1.374  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.791   0.358  -1.546  1.00  0.00           C  
HETATM    8  C8  UNL     1       2.597   0.510  -0.302  1.00  0.00           C  
HETATM    9  O1  UNL     1       3.964   0.457  -0.567  1.00  0.00           O  
HETATM   10  C9  UNL     1       2.200  -0.411   0.806  1.00  0.00           C  
HETATM   11  C10 UNL     1       0.751  -0.824   0.757  1.00  0.00           C  
HETATM   12  H1  UNL     1      -2.337   1.030  -1.677  1.00  0.00           H  
HETATM   13  H2  UNL     1      -1.533   2.134  -0.465  1.00  0.00           H  
HETATM   14  H3  UNL     1      -3.124   1.421  -0.119  1.00  0.00           H  
HETATM   15  H4  UNL     1      -3.068  -1.348  -0.012  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.455  -2.093  -0.023  1.00  0.00           H  
HETATM   17  H6  UNL     1      -2.137  -1.250  -1.519  1.00  0.00           H  
HETATM   18  H7  UNL     1      -1.291   0.981   2.057  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.947   0.430   1.650  1.00  0.00           H  
HETATM   20  H9  UNL     1      -1.677  -0.820   2.085  1.00  0.00           H  
HETATM   21  H10 UNL     1       0.249   1.208   0.451  1.00  0.00           H  
HETATM   22  H11 UNL     1      -0.159   0.098  -2.212  1.00  0.00           H  
HETATM   23  H12 UNL     1       2.261   0.368  -2.545  1.00  0.00           H  
HETATM   24  H13 UNL     1       2.397   1.563   0.054  1.00  0.00           H  
HETATM   25  H14 UNL     1       4.297  -0.446  -0.682  1.00  0.00           H  
HETATM   26  H15 UNL     1       2.883  -1.287   0.793  1.00  0.00           H  
HETATM   27  H16 UNL     1       2.333   0.076   1.816  1.00  0.00           H  
HETATM   28  H17 UNL     1       0.720  -1.764   0.133  1.00  0.00           H  
HETATM   29  H18 UNL     1       0.356  -1.041   1.767  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    4    5
CONECT    3   15   16   17
CONECT    4   18   19   20
CONECT    5    6   11   21
CONECT    6    7    7   22
CONECT    7    8   23
CONECT    8    9   10   24
CONECT    9   25
CONECT   10   11   26   27
CONECT   11   28   29
END
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SMILES for HMDB0302875 (cis-p-2-Menthen-1-ol)

CC(C)(C)C1CCC(O)C=C1
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INCHI for HMDB0302875 (cis-p-2-Menthen-1-ol)

InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6,8-9,11H,5,7H2,1-3H3
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC10H18O
Average Molecular Weight154.2493
Monoisotopic Molecular Weight154.135765198
IUPAC Name4-tert-butylcyclohex-2-en-1-ol
Traditional Name4-tert-butylcyclohex-2-en-1-ol
CAS Registry NumberNot Available
SMILES
CC(C)(C)C1CCC(O)C=C1
InChI Identifier
InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6,8-9,11H,5,7H2,1-3H3
InChI KeyNGXNAIZTJAUMGV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentSecondary alcohols
Alternative Parents
Substituents
  • Secondary alcohol
  • Hydrocarbon derivative
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP2.75ALOGPS
logP2.39ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)17.32ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity48.41 m³·mol⁻¹ChemAxon
Polarizability18.54 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+134.06532859911
AllCCS[M+H-H2O]+129.71132859911
AllCCS[M+Na]+139.29532859911
AllCCS[M+NH4]+138.12532859911
AllCCS[M-H]-138.18632859911
AllCCS[M+Na-2H]-139.8532859911
AllCCS[M+HCOO]-141.74732859911
DeepCCS[M+H]+138.80930932474
DeepCCS[M-H]-134.98130932474
DeepCCS[M-2H]-172.67230932474
DeepCCS[M+Na]+148.21130932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 10V, Positive-QTOFsplash10-052r-1900000000-0ba1da77873e7b9ad8d42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 20V, Positive-QTOFsplash10-052r-5900000000-8ea1b8c4c6f7af90bd652016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 40V, Positive-QTOFsplash10-0kus-9400000000-242c97d9e9cf5b99825f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 10V, Negative-QTOFsplash10-0udi-0900000000-b824cbab38ae1783707a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 20V, Negative-QTOFsplash10-0udi-0900000000-72691de6ba20fa916d582016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 40V, Negative-QTOFsplash10-0uki-6900000000-11aacd0d0eb58308973f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 10V, Positive-QTOFsplash10-0a4i-9400000000-7f4be9f174e76dd692cf2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 20V, Positive-QTOFsplash10-0a4i-9100000000-560ea6c7dae7f192fdee2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 40V, Positive-QTOFsplash10-0a4l-9000000000-5a5377482a446cdf90fa2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 10V, Negative-QTOFsplash10-0udi-0900000000-d2363ae8d4dbdcccda802021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 20V, Negative-QTOFsplash10-0udr-0900000000-dc0da42cc4fba2cb03532021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-p-2-Menthen-1-ol 40V, Negative-QTOFsplash10-0f79-2900000000-efbda847be80ebc139ba2021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDFDB006623
KNApSAcK IDNot Available
Chemspider ID125263
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound141999
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available