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Showing metabocard for 1,2,3,4-Tetrahydronaphthalene (HMDB0244120)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 21:18:34 UTC
Update Date2021-09-26 22:51:38 UTC
HMDB IDHMDB0244120
Secondary Accession NumbersNone
Metabolite Identification
Common Name1,2,3,4-Tetrahydronaphthalene
Descriptiontetralin, also known as benzocyclohexane, belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. tetralin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on tetralin. This compound has been identified in human blood as reported by (PMID: 31557052 ). 1,2,3,4-tetrahydronaphthalene is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 1,2,3,4-Tetrahydronaphthalene is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0244120 (1,2,3,4-Tetrahydronaphthalene)


  Mrv1652304272019132D          

 10 11  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
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3D MOL for HMDB0244120 (1,2,3,4-Tetrahydronaphthalene)

HMDB0244120
     RDKit          3D
1,2,3,4-Tetrahydronaphthalene
 22 23  0  0  0  0  0  0  0  0999 V2000
    2.7011   -0.9330   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7941    0.3750   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    1.1502   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4093    0.6317   -0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391   -0.6607    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747   -1.4766    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9205   -1.2750    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192   -0.4192    0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922    0.8054   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712    1.4683   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972   -1.5258   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.7998   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403    2.1712   -0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4225   -2.5035    0.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -2.1811   -0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672   -1.7166    1.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018   -1.0290    0.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698   -0.1222    1.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8044    1.5456    0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615    0.5725   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6489    2.3232    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    1.9998   -1.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6  1  1  0
 10  4  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
M  END
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3D SDF for HMDB0244120 (1,2,3,4-Tetrahydronaphthalene)


  Mrv1652304272019132D          

 10 11  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0244120

> <DATABASE_NAME>
hmdb

> <SMILES>
C1CCC2=CC=CC=C2C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2

> <INCHI_KEY>
CXWXQJXEFPUFDZ-UHFFFAOYSA-N

> <FORMULA>
C10H12

> <MOLECULAR_WEIGHT>
132.206

> <EXACT_MASS>
132.093900386

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
16.032306224573407

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,2,3,4-tetrahydronaphthalene

> <ALOGPS_LOGP>
3.79

> <JCHEM_LOGP>
3.4255000219999996

> <ALOGPS_LOGS>
-3.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
43.5402

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.46e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetralin

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0244120 (1,2,3,4-Tetrahydronaphthalene)

HMDB0244120
     RDKit          3D
1,2,3,4-Tetrahydronaphthalene
 22 23  0  0  0  0  0  0  0  0999 V2000
    2.7011   -0.9330   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7941    0.3750   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    1.1502   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4093    0.6317   -0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391   -0.6607    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747   -1.4766    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9205   -1.2750    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192   -0.4192    0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922    0.8054   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712    1.4683   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972   -1.5258   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.7998   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403    2.1712   -0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4225   -2.5035    0.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -2.1811   -0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672   -1.7166    1.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018   -1.0290    0.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698   -0.1222    1.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8044    1.5456    0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615    0.5725   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6489    2.3232    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    1.9998   -1.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6  1  1  0
 10  4  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
M  END
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PDB for HMDB0244120 (1,2,3,4-Tetrahydronaphthalene)

HEADER    PROTEIN                                 27-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-APR-20         0                                  
HETATM    1  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.770  -1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.080   2.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.850   1.334   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.770   1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.540   2.667   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.080   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.540   0.000   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    6                                                       
CONECT    3    4    7                                                       
CONECT    4    3    8                                                       
CONECT    5    1    9                                                       
CONECT    6    2   10                                                       
CONECT    7    3    9                                                       
CONECT    8    4   10                                                       
CONECT    9    5    7   10                                                  
CONECT   10    6    8    9                                                  
MASTER        0    0    0    0    0    0    0    0   10    0   22    0
END
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3D PDB for HMDB0244120 (1,2,3,4-Tetrahydronaphthalene)

COMPND    HMDB0244120
HETATM    1  C1  UNL     1       2.701  -0.933  -0.084  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.794   0.375  -0.511  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.633   1.150  -0.588  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.409   0.632  -0.246  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.339  -0.661   0.173  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.475  -1.477   0.266  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.921  -1.275   0.549  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.119  -0.419   0.627  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.092   0.805  -0.233  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.771   1.468  -0.338  1.00  0.00           C  
HETATM   11  H1  UNL     1       3.597  -1.526  -0.027  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.750   0.800  -0.785  1.00  0.00           H  
HETATM   13  H3  UNL     1       1.740   2.171  -0.927  1.00  0.00           H  
HETATM   14  H4  UNL     1       1.422  -2.504   0.599  1.00  0.00           H  
HETATM   15  H5  UNL     1      -1.050  -2.181  -0.098  1.00  0.00           H  
HETATM   16  H6  UNL     1      -0.767  -1.717   1.581  1.00  0.00           H  
HETATM   17  H7  UNL     1      -3.002  -1.029   0.300  1.00  0.00           H  
HETATM   18  H8  UNL     1      -2.370  -0.122   1.685  1.00  0.00           H  
HETATM   19  H9  UNL     1      -2.804   1.546   0.231  1.00  0.00           H  
HETATM   20  H10 UNL     1      -2.561   0.572  -1.230  1.00  0.00           H  
HETATM   21  H11 UNL     1      -0.649   2.323   0.393  1.00  0.00           H  
HETATM   22  H12 UNL     1      -0.755   2.000  -1.337  1.00  0.00           H  
CONECT    1    2    2    6   11
CONECT    2    3   12
CONECT    3    4    4   13
CONECT    4    5   10
CONECT    5    6    6    7
CONECT    6   14
CONECT    7    8   15   16
CONECT    8    9   17   18
CONECT    9   10   19   20
CONECT   10   21   22
END
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SMILES for HMDB0244120 (1,2,3,4-Tetrahydronaphthalene)

C1CCC2=CC=CC=C2C1
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INCHI for HMDB0244120 (1,2,3,4-Tetrahydronaphthalene)

InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1,2,3,4-TetrahydronaphthaleneChEBI
BenzocyclohexaneChEBI
Naphthalene 1,2,3,4-tetrahydrideChEBI
TetraleneChEBI
TetralinMeSH
Chemical FormulaC10H12
Average Molecular Weight132.206
Monoisotopic Molecular Weight132.093900386
IUPAC Name1,2,3,4-tetrahydronaphthalene
Traditional Nametetralin
CAS Registry NumberNot Available
SMILES
C1CCC2=CC=CC=C2C1
InChI Identifier
InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
InChI KeyCXWXQJXEFPUFDZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
KingdomOrganic compounds
Super ClassBenzenoids
ClassTetralins
Sub ClassNot Available
Direct ParentTetralins
Alternative Parents
Substituents
  • Tetralin
  • Aromatic hydrocarbon
  • Polycyclic hydrocarbon
  • Unsaturated hydrocarbon
  • Hydrocarbon
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
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
logP3.79ALOGPS
logP3.43ChemAxon
logS-3.7ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity43.54 m³·mol⁻¹ChemAxon
Polarizability16.03 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
DeepCCS[M+H]+128.5530932474
DeepCCS[M-H]-125.64730932474
DeepCCS[M-2H]-162.5330932474
DeepCCS[M+Na]+137.46330932474
AllCCS[M+H]+128.632859911
AllCCS[M+H-H2O]+123.832859911
AllCCS[M+NH4]+133.132859911
AllCCS[M+Na]+134.332859911
AllCCS[M-H]-130.432859911
AllCCS[M+Na-2H]-131.732859911
AllCCS[M+HCOO]-133.132859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.6.45 minutes32390414
Predicted by Siyang on May 30, 202217.4191 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20224.12 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid2154.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid654.0 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid260.1 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid459.5 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid387.0 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid738.1 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid806.6 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)460.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid1545.1 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid611.6 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1584.7 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid508.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid469.0 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate594.9 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA509.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water44.1 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1,2,3,4-TetrahydronaphthaleneC1CCC2=CC=CC=C2C11545.2Standard polar33892256
1,2,3,4-TetrahydronaphthaleneC1CCC2=CC=CC=C2C11164.6Standard non polar33892256
1,2,3,4-TetrahydronaphthaleneC1CCC2=CC=CC=C2C11158.6Semi standard non polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00022646
Chemspider ID8097
KEGG Compound IDC14114
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTetralin
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID35008
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1144391
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]