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Showing metabocard for (+)-trans-Sabinene hydrate (HMDB0301816)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 02:44:20 UTC
Update Date2021-09-23 02:44:20 UTC
HMDB IDHMDB0301816
Secondary Accession NumbersNone
Metabolite Identification
Common Name(+)-trans-Sabinene hydrate
DescriptionTrans-Sabinene hydrate, also known as trans-4-thujanol, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-erythritol-phosphate (MEP) pathway in plant cell plastids (PMID: 7640522 ). Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. Trans-Sabinene hydrate is a neutral, hydrophobic molecule that is practically insoluble in water. It has a woody, balsamic odor. It occurs naturally in a wide number of plants and plant oils including lemon, lime, grapefruit, blood orange, mandarin orange, orange peel, rosemary, nutmeg, pot marjoram, common oregano, and mentha (mint), which makes (+)-trans-sabinene hydrate a potential biomarker for the consumption of these food products.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0301816 ((+)-trans-Sabinene hydrate)


  Mrv1652303202019002D          

 11 12  0  0  0  0            999 V2000
    1.8611    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    2.7009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2900    2.2884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5755    1.0510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8610    1.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2900    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2899   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    3.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630    3.4154    0.0000 O   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
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  1  0  0  0
  4  6  1  1  0  0  0
  4  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  1  0  0  0
  2 11  1  6  0  0  0
M  END
Download

3D MOL for HMDB0301816 ((+)-trans-Sabinene hydrate)

HMDB0301816
     RDKit          3D
(+)-trans-Sabinene hydrate
 29 30  0  0  0  0  0  0  0  0999 V2000
   -2.7826    0.8533   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7776   -0.2600   -0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629   -1.5448   -0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915    0.1214    0.1494 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0790    1.4223   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456    1.4134   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989   -0.0530   -0.2284 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0620   -0.3425    0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2902   -0.1785   -1.5573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6757   -0.8425    0.1062 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0057   -0.4993    1.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7305    0.4391    0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0433    1.4073   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019    1.5690    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918   -0.2629   -1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7436   -2.1092   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066   -2.2252    0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2886   -1.3848    0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    2.3044    0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035    1.3900   -1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911    1.7327    1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789    2.0615   -0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7747    0.5202    0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963   -0.2398    1.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5613   -1.2879    0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -1.0820   -1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -1.7640   -0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    0.1229    2.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869   -1.2812    1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  2  1  6
  4  5  1  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
 10  4  1  0
 11  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  6
 11 28  1  0
 11 29  1  0
M  END
Download

3D SDF for HMDB0301816 ((+)-trans-Sabinene hydrate)


  Mrv1652303202019002D          

 11 12  0  0  0  0            999 V2000
    1.8611    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    2.7009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2900    2.2884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5755    1.0510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8610    1.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2900    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2899   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    3.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630    3.4154    0.0000 O   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
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  1  0  0  0
  4  6  1  1  0  0  0
  4  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  1  0  0  0
  2 11  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0301816

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)[C@@]12C[C@@H]1[C@@](C)(O)CC2

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1

> <INCHI_KEY>
KXSDPILWMGFJMM-KXUCPTDWSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.6590919909375

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol

> <ALOGPS_LOGP>
2.12

> <JCHEM_LOGP>
1.8920337026666663

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.131154204711283

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9918331508592838

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.554399999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,5R)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0301816 ((+)-trans-Sabinene hydrate)

HMDB0301816
     RDKit          3D
(+)-trans-Sabinene hydrate
 29 30  0  0  0  0  0  0  0  0999 V2000
   -2.7826    0.8533   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7776   -0.2600   -0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629   -1.5448   -0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915    0.1214    0.1494 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0790    1.4223   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456    1.4134   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989   -0.0530   -0.2284 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0620   -0.3425    0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2902   -0.1785   -1.5573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6757   -0.8425    0.1062 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0057   -0.4993    1.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7305    0.4391    0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0433    1.4073   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019    1.5690    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918   -0.2629   -1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7436   -2.1092   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066   -2.2252    0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2886   -1.3848    0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    2.3044    0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035    1.3900   -1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911    1.7327    1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789    2.0615   -0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7747    0.5202    0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963   -0.2398    1.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5613   -1.2879    0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -1.0820   -1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -1.7640   -0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    0.1229    2.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869   -1.2812    1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  2  1  6
  4  5  1  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
 10  4  1  0
 11  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  6
 11 28  1  0
 11 29  1  0
M  END
Download

PDB for HMDB0301816 ((+)-trans-Sabinene hydrate)

HEADER    PROTEIN                                 20-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-20         0                                  
HETATM    1  C   UNK     0       3.474   4.272   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.808   5.042   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.141   4.272   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.808   1.962   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.474   2.732   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.141   2.732   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.808   0.422   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.141  -0.348   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.474  -0.348   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.578   6.375   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.038   6.375   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    1    3   10   11                                             
CONECT    3    2    4    6                                                  
CONECT    4    5    3    6    7                                             
CONECT    5    4    1                                                       
CONECT    6    3    4                                                       
CONECT    7    4    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    2                                                            
CONECT   11    2                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   24    0
END
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3D PDB for HMDB0301816 ((+)-trans-Sabinene hydrate)

COMPND    HMDB0301816
HETATM    1  C1  UNL     1      -2.783   0.853  -0.242  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.778  -0.260  -0.525  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.363  -1.545  -0.091  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.491   0.121   0.149  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.079   1.422  -0.343  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.546   1.413  -0.019  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.899  -0.053  -0.228  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.062  -0.342   0.713  1.00  0.00           C  
HETATM    9  O1  UNL     1       2.290  -0.178  -1.557  1.00  0.00           O  
HETATM   10  C9  UNL     1       0.676  -0.842   0.106  1.00  0.00           C  
HETATM   11  C10 UNL     1      -0.006  -0.499   1.374  1.00  0.00           C  
HETATM   12  H1  UNL     1      -3.731   0.439   0.147  1.00  0.00           H  
HETATM   13  H2  UNL     1      -3.043   1.407  -1.186  1.00  0.00           H  
HETATM   14  H3  UNL     1      -2.402   1.569   0.513  1.00  0.00           H  
HETATM   15  H4  UNL     1      -1.592  -0.263  -1.618  1.00  0.00           H  
HETATM   16  H5  UNL     1      -2.744  -2.109  -0.991  1.00  0.00           H  
HETATM   17  H6  UNL     1      -1.707  -2.225   0.451  1.00  0.00           H  
HETATM   18  H7  UNL     1      -3.289  -1.385   0.534  1.00  0.00           H  
HETATM   19  H8  UNL     1      -0.455   2.304   0.005  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.004   1.390  -1.469  1.00  0.00           H  
HETATM   21  H10 UNL     1       1.691   1.733   1.019  1.00  0.00           H  
HETATM   22  H11 UNL     1       2.079   2.061  -0.723  1.00  0.00           H  
HETATM   23  H12 UNL     1       3.775   0.520   0.564  1.00  0.00           H  
HETATM   24  H13 UNL     1       2.696  -0.240   1.747  1.00  0.00           H  
HETATM   25  H14 UNL     1       3.561  -1.288   0.495  1.00  0.00           H  
HETATM   26  H15 UNL     1       2.562  -1.082  -1.788  1.00  0.00           H  
HETATM   27  H16 UNL     1       0.467  -1.764  -0.456  1.00  0.00           H  
HETATM   28  H17 UNL     1       0.582   0.123   2.110  1.00  0.00           H  
HETATM   29  H18 UNL     1      -0.587  -1.281   1.872  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    4   15
CONECT    3   16   17   18
CONECT    4    5   10   11
CONECT    5    6   19   20
CONECT    6    7   21   22
CONECT    7    8    9   10
CONECT    8   23   24   25
CONECT    9   26
CONECT   10   11   27
CONECT   11   28   29
END
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SMILES for HMDB0301816 ((+)-trans-Sabinene hydrate)

CC(C)[C@@]12C[C@@H]1[C@@](C)(O)CC2
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INCHI for HMDB0301816 ((+)-trans-Sabinene hydrate)

InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(+)-trans-Sabinene hydric acidGenerator
Chemical FormulaC10H18O
Average Molecular Weight154.2493
Monoisotopic Molecular Weight154.135765198
IUPAC Name(1S,2S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol
Traditional Name(1S,2S,5R)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol
CAS Registry NumberNot Available
SMILES
CC(C)[C@@]12C[C@@H]1[C@@](C)(O)CC2
InChI Identifier
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChI KeyKXSDPILWMGFJMM-KXUCPTDWSA-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
  • Bicyclic monoterpenoid
  • Thujane monoterpenoid
  • Tertiary alcohol
  • Cyclic alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • 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
logP2.12ALOGPS
logP1.89ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)19.13ChemAxon
pKa (Strongest Basic)-0.99ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity45.55 m³·mol⁻¹ChemAxon
Polarizability18.66 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
AllCCS[M+H]+133.41732859911
AllCCS[M+H-H2O]+129.14332859911
AllCCS[M+Na]+138.54832859911
AllCCS[M+NH4]+137.432859911
AllCCS[M-H]-139.10832859911
AllCCS[M+Na-2H]-140.39232859911
AllCCS[M+HCOO]-141.87532859911
DeepCCS[M-2H]-173.29130932474
DeepCCS[M+Na]+148.29230932474

Predicted Kovats Retention Indices

Not Available
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (+)-trans-Sabinene hydrate GC-MS (1 TMS) - 70eV, PositiveNot Available2020-06-30Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 10V, Positive-QTOFsplash10-052r-0900000000-bb4d810a903b491686452016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 20V, Positive-QTOFsplash10-052r-3900000000-86e0dbc0c378d01fe9ab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 40V, Positive-QTOFsplash10-05gr-9600000000-5d9c2e6a3159571473922016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 10V, Negative-QTOFsplash10-0udi-0900000000-e9344613e0d30c201ac72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 20V, Negative-QTOFsplash10-0udi-0900000000-f35baa9b2bece161cc902016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 40V, Negative-QTOFsplash10-0k9i-4900000000-18c55cbbe6856fe136522016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 10V, Positive-QTOFsplash10-052e-8900000000-0f282cd4bfdb147f67512021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 20V, Positive-QTOFsplash10-0006-9300000000-35cb41d240c8e510afd72021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 40V, Positive-QTOFsplash10-0006-9000000000-85ade551b4aacc4fd8e02021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 10V, Negative-QTOFsplash10-0udi-0900000000-d2363ae8d4dbdcccda802021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 20V, Negative-QTOFsplash10-0udi-0900000000-d2363ae8d4dbdcccda802021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-trans-Sabinene hydrate 40V, Negative-QTOFsplash10-0udi-0900000000-f0b940d91fca8f32df512021-10-21Wishart 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 IDFDB001454
KNApSAcK IDNot Available
Chemspider ID9403968
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11228920
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 References
  1. McGarvey DJ, Croteau R: Terpenoid metabolism. Plant Cell. 1995 Jul;7(7):1015-26. doi: 10.1105/tpc.7.7.1015. [PubMed:7640522 ]