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Showing metabocard for 3,4-Epoxy-p-menth-1(7)-ene (HMDB0039008)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:21:31 UTC
Update Date2022-03-07 02:56:01 UTC
HMDB IDHMDB0039008
Secondary Accession Numbers
  • HMDB39008
Metabolite Identification
Common Name3,4-Epoxy-p-menth-1(7)-ene
Description3,4-Epoxy-p-menth-1(7)-ene belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. 3,4-Epoxy-p-menth-1(7)-ene has been detected, but not quantified in, herbs and spices. This could make 3,4-epoxy-p-menth-1(7)-ene a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3,4-Epoxy-p-menth-1(7)-ene.
Structure
Data?1563863296
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039008 (3,4-Epoxy-p-menth-1(7)-ene)


  Mrv0541 05061310472D          

 11 12  0  0  0  0            999 V2000
    1.9053    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6678    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 10  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039008 (3,4-Epoxy-p-menth-1(7)-ene)

HMDB0039008
     RDKit          3D
3,4-Epoxy-p-menth-1(7)-ene
 27 28  0  0  0  0  0  0  0  0999 V2000
    3.5747    0.3672    0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424   -0.0930    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -0.1322   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    0.1831   -1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3997    0.2837   -0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.3253   -0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710    0.4287    1.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -1.0053   -0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051    1.4203    0.7217 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007    0.1154    1.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290   -0.5786    1.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1863    0.7265   -0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0099    0.3980    1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9277   -1.1723   -1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.5199   -1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2098   -0.5421   -2.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051    1.1730   -1.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597    1.1701   -0.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5102   -0.5612    1.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1635    1.2457    1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6480    0.6342    1.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6902   -1.8133   -0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966   -1.1732   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3522   -0.9699   -1.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.1209    2.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3391   -1.6713    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354   -0.4692    2.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 10  5  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 10 25  1  0
 11 26  1  0
 11 27  1  0
M  END
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3D SDF for HMDB0039008 (3,4-Epoxy-p-menth-1(7)-ene)


  Mrv0541 05061310472D          

 11 12  0  0  0  0            999 V2000
    1.9053    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6678    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 10  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039008

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)C12CCC(=C)CC1O2

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-7(2)10-5-4-8(3)6-9(10)11-10/h7,9H,3-6H2,1-2H3

> <INCHI_KEY>
ITEDXWDCHPDNGM-UHFFFAOYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.9696011521957

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-methylidene-1-(propan-2-yl)-7-oxabicyclo[4.1.0]heptane

> <ALOGPS_LOGP>
2.25

> <JCHEM_LOGP>
2.474938603333333

> <ALOGPS_LOGS>
-2.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.230703133081279

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
45.0868

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.88e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-isopropyl-4-methylidene-7-oxabicyclo[4.1.0]heptane

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0039008 (3,4-Epoxy-p-menth-1(7)-ene)

HMDB0039008
     RDKit          3D
3,4-Epoxy-p-menth-1(7)-ene
 27 28  0  0  0  0  0  0  0  0999 V2000
    3.5747    0.3672    0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424   -0.0930    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -0.1322   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    0.1831   -1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3997    0.2837   -0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.3253   -0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710    0.4287    1.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -1.0053   -0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051    1.4203    0.7217 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007    0.1154    1.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290   -0.5786    1.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1863    0.7265   -0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0099    0.3980    1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9277   -1.1723   -1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.5199   -1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2098   -0.5421   -2.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051    1.1730   -1.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597    1.1701   -0.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5102   -0.5612    1.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1635    1.2457    1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6480    0.6342    1.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6902   -1.8133   -0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966   -1.1732   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3522   -0.9699   -1.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.1209    2.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3391   -1.6713    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354   -0.4692    2.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 10  5  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 10 25  1  0
 11 26  1  0
 11 27  1  0
M  END
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PDB for HMDB0039008 (3,4-Epoxy-p-menth-1(7)-ene)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       3.557   4.207   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.247   2.874   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.558  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.224   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.890   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.890  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.787   2.874   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.224   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.557   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.557   1.540   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.223   0.770   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2    7                                                            
CONECT    3    8                                                            
CONECT    4    5    8                                                       
CONECT    5    4   10                                                       
CONECT    6    8    9                                                       
CONECT    7    1    2   10                                                  
CONECT    8    3    4    6                                                  
CONECT    9    6   10   11                                                  
CONECT   10    5    7    9   11                                             
CONECT   11    9   10                                                       
MASTER        0    0    0    0    0    0    0    0   11    0   24    0
END
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3D PDB for HMDB0039008 (3,4-Epoxy-p-menth-1(7)-ene)

COMPND    HMDB0039008
HETATM    1  C1  UNL     1       3.575   0.367   0.255  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.342  -0.093   0.050  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.759  -0.132  -1.297  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.309   0.183  -1.354  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.400   0.284  -0.069  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.927   0.325  -0.193  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.571   0.429   1.172  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.335  -1.005  -0.784  1.00  0.00           C  
HETATM    9  O1  UNL     1       0.105   1.420   0.722  1.00  0.00           O  
HETATM   10  C9  UNL     1       0.201   0.115   1.153  1.00  0.00           C  
HETATM   11  C10 UNL     1       1.529  -0.579   1.186  1.00  0.00           C  
HETATM   12  H1  UNL     1       4.186   0.726  -0.559  1.00  0.00           H  
HETATM   13  H2  UNL     1       4.010   0.398   1.248  1.00  0.00           H  
HETATM   14  H3  UNL     1       1.928  -1.172  -1.695  1.00  0.00           H  
HETATM   15  H4  UNL     1       2.364   0.520  -1.994  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.210  -0.542  -2.034  1.00  0.00           H  
HETATM   17  H6  UNL     1       0.205   1.173  -1.889  1.00  0.00           H  
HETATM   18  H7  UNL     1      -2.260   1.170  -0.821  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.510  -0.561   1.672  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.163   1.246   1.772  1.00  0.00           H  
HETATM   21  H10 UNL     1      -3.648   0.634   1.004  1.00  0.00           H  
HETATM   22  H11 UNL     1      -1.690  -1.813  -0.392  1.00  0.00           H  
HETATM   23  H12 UNL     1      -3.397  -1.173  -0.474  1.00  0.00           H  
HETATM   24  H13 UNL     1      -2.352  -0.970  -1.892  1.00  0.00           H  
HETATM   25  H14 UNL     1      -0.425  -0.121   2.062  1.00  0.00           H  
HETATM   26  H15 UNL     1       1.339  -1.671   0.991  1.00  0.00           H  
HETATM   27  H16 UNL     1       2.035  -0.469   2.160  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3   11
CONECT    3    4   14   15
CONECT    4    5   16   17
CONECT    5    6    9   10
CONECT    6    7    8   18
CONECT    7   19   20   21
CONECT    8   22   23   24
CONECT    9   10
CONECT   10   11   25
CONECT   11   26   27
END
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SMILES for HMDB0039008 (3,4-Epoxy-p-menth-1(7)-ene)

CC(C)C12CCC(=C)CC1O2
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INCHI for HMDB0039008 (3,4-Epoxy-p-menth-1(7)-ene)

InChI=1S/C10H16O/c1-7(2)10-5-4-8(3)6-9(10)11-10/h7,9H,3-6H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
4-Methylene-1-(1-methylethyl)-7-oxabicyclo[4.1.0]heptaneHMDB
Chemical FormulaC10H16O
Average Molecular Weight152.2334
Monoisotopic Molecular Weight152.120115134
IUPAC Name4-methylidene-1-(propan-2-yl)-7-oxabicyclo[4.1.0]heptane
Traditional Name1-isopropyl-4-methylidene-7-oxabicyclo[4.1.0]heptane
CAS Registry Number21391-86-6
SMILES
CC(C)C12CCC(=C)CC1O2
InChI Identifier
InChI=1S/C10H16O/c1-7(2)10-5-4-8(3)6-9(10)11-10/h7,9H,3-6H2,1-2H3
InChI KeyITEDXWDCHPDNGM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassOxepanes
Sub ClassNot Available
Direct ParentOxepanes
Alternative Parents
Substituents
  • Oxepane
  • Oxacycle
  • Ether
  • Oxirane
  • Dialkyl ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
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
Water Solubility0.39 g/LALOGPS
logP2.25ALOGPS
logP2.47ChemAxon
logS-2.6ALOGPS
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.53 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity45.09 m³·mol⁻¹ChemAxon
Polarizability17.97 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]+134.65131661259
DarkChem[M-H]-130.02931661259
DeepCCS[M-2H]-173.82830932474
DeepCCS[M+Na]+149.00930932474
AllCCS[M+H]+133.832859911
AllCCS[M+H-H2O]+129.332859911
AllCCS[M+NH4]+137.932859911
AllCCS[M+Na]+139.132859911
AllCCS[M-H]-138.332859911
AllCCS[M+Na-2H]-139.532859911
AllCCS[M+HCOO]-140.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3,4-Epoxy-p-menth-1(7)-eneCC(C)C12CCC(=C)CC1O21388.8Standard polar33892256
3,4-Epoxy-p-menth-1(7)-eneCC(C)C12CCC(=C)CC1O21107.6Standard non polar33892256
3,4-Epoxy-p-menth-1(7)-eneCC(C)C12CCC(=C)CC1O21127.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene GC-MS (Non-derivatized) - 70eV, Positivesplash10-0f6x-9300000000-b43718d11059c9191bbf2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 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 - 3,4-Epoxy-p-menth-1(7)-ene 10V, Positive-QTOFsplash10-0udi-0900000000-09e035951b6ab95bcdd22015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 20V, Positive-QTOFsplash10-0udi-3900000000-59a88bf245ebb56bb65a2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 40V, Positive-QTOFsplash10-0gb9-9000000000-ae0b5c286d9c4925feef2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 10V, Negative-QTOFsplash10-0udi-0900000000-8945e213ca032e9919f82015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 20V, Negative-QTOFsplash10-0udi-1900000000-3afd799326d007b07d3f2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 40V, Negative-QTOFsplash10-066r-9500000000-165acaa312548d9b0e8a2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 10V, Positive-QTOFsplash10-0w29-3900000000-7d8a1406f6fd4fdc49ad2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 20V, Positive-QTOFsplash10-06rf-8900000000-abceeff6c078565031f32021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 40V, Positive-QTOFsplash10-0006-9100000000-431e99a9a35528a17be92021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 10V, Negative-QTOFsplash10-0udi-0900000000-c373c9eea3cebf186f532021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 20V, Negative-QTOFsplash10-0udi-0900000000-a722ab44e99683729ae42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4-Epoxy-p-menth-1(7)-ene 40V, Negative-QTOFsplash10-0a4i-2900000000-c8c9167d5ddc7aeeff482021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB018502
KNApSAcK IDNot Available
Chemspider ID35014712
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101409164
PDB IDNot Available
ChEBI ID171960
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 References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .