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Showing metabocard for 3,8(9)-p-Menthadien-1-ol (HMDB0302867)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 21:17:53 UTC
Update Date2021-09-23 21:17:59 UTC
HMDB IDHMDB0302867
Secondary Accession NumbersNone
Metabolite Identification
Common Name3,8(9)-p-Menthadien-1-ol
Description3,8(9)-p-menthadien-1-ol is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. 3,8(9)-p-menthadien-1-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 3,8(9)-p-menthadien-1-ol can be found in pepper (spice), which makes 3,8(9)-p-menthadien-1-ol a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302867 (3,8(9)-p-Menthadien-1-ol)


  Mrv0541 02241220522D          

 11 11  0  0  1  0            999 V2000
    1.4289   -1.6500    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
    0.0000   -1.6500    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
    0.0000    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
    0.7145    1.2375    0.0000 C   0  0  2  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
    0.3272    1.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018    1.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  1  0  0  0
  7 11  1  6  0  0  0
M  END
Download

3D MOL for HMDB0302867 (3,8(9)-p-Menthadien-1-ol)

HMDB0302867
     RDKit          3D
3,8(9)-p-Menthadien-1-ol
 27 27  0  0  0  0  0  0  0  0999 V2000
    2.8272    1.5306    0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3218    0.5035    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2716   -0.5398   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9084    0.2860   -0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4518   -0.7649   -0.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620   -1.0461   -1.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9159   -0.2738   -0.2713 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9975   -1.1548    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606    0.7064   -1.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422    0.4354    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0801    1.2638    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962    1.6147    0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2242    2.3158    1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433   -1.4474    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2887   -0.1295   -0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0772   -0.7308   -1.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144   -1.4680   -1.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799   -0.8916   -2.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387   -2.1270   -0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9581   -0.5811    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -2.0717   -0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136   -1.4339    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    1.4975   -0.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9556    1.0304    1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7983   -0.3417    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816    1.9770    1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5165    1.8410   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  6
  7 10  1  0
 10 11  1  0
 11  4  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  0
 11 27  1  0
M  END
Download

3D SDF for HMDB0302867 (3,8(9)-p-Menthadien-1-ol)


  Mrv0541 02241220522D          

 11 11  0  0  1  0            999 V2000
    1.4289   -1.6500    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
    0.0000   -1.6500    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
    0.0000    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
    0.7145    1.2375    0.0000 C   0  0  2  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
    0.3272    1.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018    1.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  1  0  0  0
  7 11  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0302867

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=C)C1=CC[C@](C)(O)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,11H,1,5-7H2,2-3H3/t10-/m0/s1

> <INCHI_KEY>
ZAGYKNAXCCJVSM-JTQLQIEISA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.2649143001993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-3-en-1-ol

> <ALOGPS_LOGP>
2.48

> <JCHEM_LOGP>
1.8266516966666662

> <ALOGPS_LOGS>
-1.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.944269735707653

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0735764176014726

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.2394

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-3-en-1-ol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302867 (3,8(9)-p-Menthadien-1-ol)

HMDB0302867
     RDKit          3D
3,8(9)-p-Menthadien-1-ol
 27 27  0  0  0  0  0  0  0  0999 V2000
    2.8272    1.5306    0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3218    0.5035    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2716   -0.5398   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9084    0.2860   -0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4518   -0.7649   -0.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620   -1.0461   -1.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9159   -0.2738   -0.2713 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9975   -1.1548    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606    0.7064   -1.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422    0.4354    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0801    1.2638    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962    1.6147    0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2242    2.3158    1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433   -1.4474    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2887   -0.1295   -0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0772   -0.7308   -1.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144   -1.4680   -1.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799   -0.8916   -2.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387   -2.1270   -0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9581   -0.5811    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -2.0717   -0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136   -1.4339    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    1.4975   -0.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9556    1.0304    1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7983   -0.3417    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816    1.9770    1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5165    1.8410   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  6
  7 10  1  0
 10 11  1  0
 11  4  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  0
 11 27  1  0
M  END
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PDB for HMDB0302867 (3,8(9)-p-Menthadien-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  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.611   3.670   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.057   3.670   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   10   11                                             
CONECT    8    7    9                                                       
CONECT    9    8    4                                                       
CONECT   10    7                                                            
CONECT   11    7                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0302867 (3,8(9)-p-Menthadien-1-ol)

COMPND    HMDB0302867
HETATM    1  C1  UNL     1       2.827   1.531   0.711  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.322   0.504   0.065  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.272  -0.540  -0.467  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.908   0.286  -0.181  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.452  -0.765  -0.839  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.962  -1.046  -1.123  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.916  -0.274  -0.271  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.997  -1.155   0.325  1.00  0.00           C  
HETATM    9  O1  UNL     1      -2.561   0.706  -1.059  1.00  0.00           O  
HETATM   10  C9  UNL     1      -1.242   0.435   0.864  1.00  0.00           C  
HETATM   11  C10 UNL     1      -0.080   1.264   0.317  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.896   1.615   0.852  1.00  0.00           H  
HETATM   13  H2  UNL     1       2.224   2.316   1.119  1.00  0.00           H  
HETATM   14  H3  UNL     1       3.143  -1.447   0.130  1.00  0.00           H  
HETATM   15  H4  UNL     1       4.289  -0.129  -0.377  1.00  0.00           H  
HETATM   16  H5  UNL     1       3.077  -0.731  -1.543  1.00  0.00           H  
HETATM   17  H6  UNL     1       1.214  -1.468  -1.189  1.00  0.00           H  
HETATM   18  H7  UNL     1      -1.180  -0.892  -2.219  1.00  0.00           H  
HETATM   19  H8  UNL     1      -1.139  -2.127  -0.948  1.00  0.00           H  
HETATM   20  H9  UNL     1      -3.958  -0.581   0.399  1.00  0.00           H  
HETATM   21  H10 UNL     1      -3.138  -2.072  -0.266  1.00  0.00           H  
HETATM   22  H11 UNL     1      -2.714  -1.434   1.367  1.00  0.00           H  
HETATM   23  H12 UNL     1      -2.750   1.497  -0.483  1.00  0.00           H  
HETATM   24  H13 UNL     1      -1.956   1.030   1.431  1.00  0.00           H  
HETATM   25  H14 UNL     1      -0.798  -0.342   1.538  1.00  0.00           H  
HETATM   26  H15 UNL     1       0.282   1.977   1.052  1.00  0.00           H  
HETATM   27  H16 UNL     1      -0.516   1.841  -0.544  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3    4
CONECT    3   14   15   16
CONECT    4    5    5   11
CONECT    5    6   17
CONECT    6    7   18   19
CONECT    7    8    9   10
CONECT    8   20   21   22
CONECT    9   23
CONECT   10   11   24   25
CONECT   11   26   27
END
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SMILES for HMDB0302867 (3,8(9)-p-Menthadien-1-ol)

CC(=C)C1=CC[C@](C)(O)CC1
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INCHI for HMDB0302867 (3,8(9)-p-Menthadien-1-ol)

InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,11H,1,5-7H2,2-3H3/t10-/m0/s1
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC10H16O
Average Molecular Weight152.2334
Monoisotopic Molecular Weight152.120115134
IUPAC Name(1R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-3-en-1-ol
Traditional Name(1R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-3-en-1-ol
CAS Registry NumberNot Available
SMILES
CC(=C)C1=CC[C@](C)(O)CC1
InChI Identifier
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,11H,1,5-7H2,2-3H3/t10-/m0/s1
InChI KeyZAGYKNAXCCJVSM-JTQLQIEISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentMenthane monoterpenoids
Alternative Parents
Substituents
  • P-menthane monoterpenoid
  • Monocyclic monoterpenoid
  • Tertiary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • 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
logP2.48ALOGPS
logP1.83ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)18.94ChemAxon
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity48.24 m³·mol⁻¹ChemAxon
Polarizability18.26 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]+132.64732859911
AllCCS[M+H-H2O]+128.16532859911
AllCCS[M+Na]+138.03232859911
AllCCS[M+NH4]+136.82632859911
AllCCS[M-H]-136.28332859911
AllCCS[M+Na-2H]-137.83932859911
AllCCS[M+HCOO]-139.61832859911
DeepCCS[M+H]+135.3130932474
DeepCCS[M-H]-132.69530932474
DeepCCS[M-2H]-168.56230932474
DeepCCS[M+Na]+143.29130932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 10V, Positive-QTOFsplash10-0f79-0900000000-3f60474467c0b30b9e1b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 20V, Positive-QTOFsplash10-0f79-5900000000-1d51800e1f8a8edf35e32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 40V, Positive-QTOFsplash10-0gb9-9300000000-fbd8d3929964d83a41e82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 10V, Negative-QTOFsplash10-0udi-0900000000-7de6536e4cdb5030a2ea2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 20V, Negative-QTOFsplash10-0udi-0900000000-e01fe090cea55577cd9a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 40V, Negative-QTOFsplash10-0k9l-4900000000-a06cb4a5c21a8040827f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 10V, Positive-QTOFsplash10-000i-5900000000-ca25f745a620a34c8e052021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 20V, Positive-QTOFsplash10-004l-9100000000-4123ebe4f92c0b44014f2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 40V, Positive-QTOFsplash10-00or-9000000000-854b8a21b6fc820e87b02021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 10V, Negative-QTOFsplash10-0udi-0900000000-c373c9eea3cebf186f532021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 20V, Negative-QTOFsplash10-0ue9-1900000000-83a32e33e6a57fab2a472021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,8(9)-p-Menthadien-1-ol 40V, Negative-QTOFsplash10-014i-9300000000-f7e8cc097b501a0aa8a42021-10-21Wishart 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 IDFDB006607
KNApSAcK IDNot Available
Chemspider ID4477673
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5319364
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