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Showing metabocard for Myrtenyl methyl ether (HMDB0302745)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 20:19:54 UTC
Update Date2021-09-23 20:19:55 UTC
HMDB IDHMDB0302745
Secondary Accession NumbersNone
Metabolite Identification
Common NameMyrtenyl methyl ether
DescriptionMyrtenyl methyl ether is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Myrtenyl methyl ether is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Myrtenyl methyl ether can be found in hyssop and orange mint, which makes myrtenyl methyl ether a potential biomarker for the consumption of these food products.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302745 (Myrtenyl methyl ether)


  Mrv1533007131513432D          

 12 13  0  0  0  0            999 V2000
    0.2520   -0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    2.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2326    0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    1.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1267    0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3017    0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3673    1.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  8  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 11  2  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
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3D MOL for HMDB0302745 (Myrtenyl methyl ether)

HMDB0302745
     RDKit          3D
Myrtenyl methyl ether
 30 31  0  0  0  0  0  0  0  0999 V2000
    4.2815    0.1931   -0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205    0.7140   -0.3567 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994   -0.3069   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    0.1048   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278    1.3179   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305    1.6794   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8715    0.4622   -0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2688   -0.7290   -1.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3591   -0.8733   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5357   -0.3184    0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255    0.4769    1.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5481   -1.4263    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4547   -0.6722   -0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2928   -0.1616    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    0.9577   -0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3582   -1.1353   -0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2366   -0.6176    0.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515    2.0702   -1.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1986    2.0374   -1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502    2.4822   -0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9472    0.5706   -0.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012   -1.5384   -1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -0.4813   -2.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0876   -1.8967    0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1808    0.3310    2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4839    1.5679    1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8657    0.1250    2.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9978   -1.3660    1.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4072   -1.3318    0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192   -2.4231    0.6971 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  9  4  1  0
 10  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
 11 25  1  0
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
M  END
Download

3D SDF for HMDB0302745 (Myrtenyl methyl ether)


  Mrv1533007131513432D          

 12 13  0  0  0  0            999 V2000
    0.2520   -0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    2.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2326    0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    1.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1267    0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3017    0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3673    1.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  8  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 11  2  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302745

> <DATABASE_NAME>
hmdb

> <SMILES>
COCC1=CCC2CC1C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3

> <INCHI_KEY>
GMYAZJHVKQKHSD-UHFFFAOYSA-N

> <FORMULA>
C11H18O

> <MOLECULAR_WEIGHT>
166.264

> <EXACT_MASS>
166.1357652

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
20.24226101355127

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

> <ALOGPS_LOGP>
3.80

> <JCHEM_LOGP>
2.1640167933333334

> <ALOGPS_LOGS>
-2.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.130100063219027

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
51.248200000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.06e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302745 (Myrtenyl methyl ether)

HMDB0302745
     RDKit          3D
Myrtenyl methyl ether
 30 31  0  0  0  0  0  0  0  0999 V2000
    4.2815    0.1931   -0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205    0.7140   -0.3567 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994   -0.3069   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    0.1048   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278    1.3179   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305    1.6794   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8715    0.4622   -0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2688   -0.7290   -1.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3591   -0.8733   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5357   -0.3184    0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255    0.4769    1.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5481   -1.4263    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4547   -0.6722   -0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2928   -0.1616    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    0.9577   -0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3582   -1.1353   -0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2366   -0.6176    0.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515    2.0702   -1.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1986    2.0374   -1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502    2.4822   -0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9472    0.5706   -0.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012   -1.5384   -1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -0.4813   -2.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0876   -1.8967    0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1808    0.3310    2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4839    1.5679    1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8657    0.1250    2.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9978   -1.3660    1.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4072   -1.3318    0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192   -2.4231    0.6971 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  9  4  1  0
 10  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
 11 25  1  0
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
M  END
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PDB for HMDB0302745 (Myrtenyl methyl ether)

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0       0.470  -0.683   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.479   1.297   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.061   4.280   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.734   0.289   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.959  -1.042   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.301   0.243   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.746   2.956   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.970   1.626   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.419  -1.035   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.430   1.632   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.654   0.302   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.286   2.950   0.000  0.00  0.00           O+0
CONECT    1   11                                                            
CONECT    2   11                                                            
CONECT    3   12                                                            
CONECT    4    5    8                                                       
CONECT    5    4    9                                                       
CONECT    6    9   10                                                       
CONECT    7    8   12                                                       
CONECT    8    4    7   10                                                  
CONECT    9    5    6   11                                                  
CONECT   10    6    8   11                                                  
CONECT   11    1    2    9   10                                             
CONECT   12    3    7                                                       
MASTER        0    0    0    0    0    0    0    0   12    0   26    0
END
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3D PDB for HMDB0302745 (Myrtenyl methyl ether)

COMPND    HMDB0302745
HETATM    1  C1  UNL     1       4.282   0.193  -0.074  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.021   0.714  -0.357  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.099  -0.307  -0.122  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.714   0.105  -0.382  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.428   1.318  -0.791  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.031   1.679  -0.852  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.872   0.462  -0.661  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.269  -0.729  -1.413  1.00  0.00           C  
HETATM    9  C8  UNL     1      -0.359  -0.873  -0.175  1.00  0.00           C  
HETATM   10  C9  UNL     1      -1.536  -0.318   0.600  1.00  0.00           C  
HETATM   11  C10 UNL     1      -1.226   0.477   1.806  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.548  -1.426   0.808  1.00  0.00           C  
HETATM   13  H1  UNL     1       4.455  -0.672  -0.748  1.00  0.00           H  
HETATM   14  H2  UNL     1       4.293  -0.162   0.989  1.00  0.00           H  
HETATM   15  H3  UNL     1       5.076   0.958  -0.154  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.358  -1.135  -0.818  1.00  0.00           H  
HETATM   17  H5  UNL     1       2.237  -0.618   0.941  1.00  0.00           H  
HETATM   18  H6  UNL     1       1.152   2.070  -1.084  1.00  0.00           H  
HETATM   19  H7  UNL     1      -1.199   2.037  -1.892  1.00  0.00           H  
HETATM   20  H8  UNL     1      -1.250   2.482  -0.151  1.00  0.00           H  
HETATM   21  H9  UNL     1      -2.947   0.571  -0.863  1.00  0.00           H  
HETATM   22  H10 UNL     1      -2.001  -1.538  -1.454  1.00  0.00           H  
HETATM   23  H11 UNL     1      -0.734  -0.481  -2.326  1.00  0.00           H  
HETATM   24  H12 UNL     1      -0.088  -1.897   0.067  1.00  0.00           H  
HETATM   25  H13 UNL     1      -0.181   0.331   2.145  1.00  0.00           H  
HETATM   26  H14 UNL     1      -1.484   1.568   1.701  1.00  0.00           H  
HETATM   27  H15 UNL     1      -1.866   0.125   2.652  1.00  0.00           H  
HETATM   28  H16 UNL     1      -2.998  -1.366   1.821  1.00  0.00           H  
HETATM   29  H17 UNL     1      -3.407  -1.332   0.091  1.00  0.00           H  
HETATM   30  H18 UNL     1      -2.119  -2.423   0.697  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3
CONECT    3    4   16   17
CONECT    4    5    5    9
CONECT    5    6   18
CONECT    6    7   19   20
CONECT    7    8   10   21
CONECT    8    9   22   23
CONECT    9   10   24
CONECT   10   11   12
CONECT   11   25   26   27
CONECT   12   28   29   30
END
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SMILES for HMDB0302745 (Myrtenyl methyl ether)

COCC1=CCC2CC1C2(C)C
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INCHI for HMDB0302745 (Myrtenyl methyl ether)

InChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC11H18O
Average Molecular Weight166.264
Monoisotopic Molecular Weight166.1357652
IUPAC Name2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
Traditional Name2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CAS Registry NumberNot Available
SMILES
COCC1=CCC2CC1C2(C)C
InChI Identifier
InChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3
InChI KeyGMYAZJHVKQKHSD-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
  • Pinane monoterpenoid
  • Bicyclic monoterpenoid
  • Ether
  • Dialkyl ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic 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
logP3.8ALOGPS
logP2.16ChemAxon
logS-2.9ALOGPS
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity51.25 m³·mol⁻¹ChemAxon
Polarizability20.24 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+136.40732859911
AllCCS[M+H-H2O]+132.20132859911
AllCCS[M+Na]+141.45532859911
AllCCS[M+NH4]+140.32632859911
AllCCS[M-H]-142.12832859911
AllCCS[M+Na-2H]-143.20532859911
AllCCS[M+HCOO]-144.46532859911
DeepCCS[M+H]+139.03730932474
DeepCCS[M-H]-135.36530932474
DeepCCS[M-2H]-172.72330932474
DeepCCS[M+Na]+148.26230932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 10V, Positive-QTOFsplash10-014i-0900000000-f14b4455686c3de2e4052016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 20V, Positive-QTOFsplash10-014r-0900000000-8c62a5d7c21732da70422016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 40V, Positive-QTOFsplash10-00kr-0900000000-b9ca1785cb3a5c8d291f2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 10V, Negative-QTOFsplash10-014i-0900000000-2a27a8fa1e6312a0b36b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 20V, Negative-QTOFsplash10-014i-0900000000-77bd2d1c8eedf9899ab02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 40V, Negative-QTOFsplash10-0159-2900000000-a2f8f02b10b41a50e0b02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 10V, Positive-QTOFsplash10-014i-0900000000-668e413a909b5f4f93342021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 20V, Positive-QTOFsplash10-014i-0900000000-aef4333a58ec52c260be2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 40V, Positive-QTOFsplash10-014r-0900000000-008a65b9cadf96f9737f2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 10V, Negative-QTOFsplash10-014i-0900000000-05af9fd30de6fd63473b2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 20V, Negative-QTOFsplash10-00yi-0900000000-728654c5b12bd878ec652021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myrtenyl methyl ether 40V, Negative-QTOFsplash10-01c0-0900000000-2ce6daf4eec3e0d6dd3f2021-10-21Wishart 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 IDFDB006034
KNApSAcK IDNot Available
Chemspider ID35803192
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound15775107
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