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Showing metabocard for Decahydronaphthalene (HMDB0250288)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:17:29 UTC
Update Date2021-09-26 23:01:39 UTC
HMDB IDHMDB0250288
Secondary Accession NumbersNone
Metabolite Identification
Common NameDecahydronaphthalene
Descriptiondecalin, also known as naphthan, belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms. Based on a literature review a significant number of articles have been published on decalin. This compound has been identified in human blood as reported by (PMID: 31557052 ). Decahydronaphthalene is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Decahydronaphthalene 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 HMDB0250288 (Decahydronaphthalene)


  Mrv1533004241511362D          

 10 11  0  0  0  0            999 V2000
    0.7145   -1.2375    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
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  1  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
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0250288 (Decahydronaphthalene)

HMDB0250288
     RDKit          3D
Decahydronaphthalene
 28 29  0  0  0  0  0  0  0  0999 V2000
    2.5108    0.3940   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030   -0.9701    0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9002   -1.1935    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0215   -0.7870   -0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3944   -1.3352   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729   -0.3071   -0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3197    0.7943    0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9319    1.3056    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0081    0.7036   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    1.3081   -0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658    0.3169   -1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3388    0.8720    0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312   -1.7450   -0.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0464   -1.2863    1.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7582   -2.2235    1.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -0.4962    1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321   -1.1860   -1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5631   -1.6749    0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5453   -2.2026   -0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4407   -0.8168   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047    0.0683   -1.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6676    0.3330    1.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0314    1.6315    0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154    2.4113    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5378    1.1032    1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728    0.9742   -1.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942    1.9707    0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930    2.0377   -1.1590 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  1  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
M  END
Download

3D SDF for HMDB0250288 (Decahydronaphthalene)


  Mrv1533004241511362D          

 10 11  0  0  0  0            999 V2000
    0.7145   -1.2375    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
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  1  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
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250288

> <DATABASE_NAME>
hmdb

> <SMILES>
C1CCC2CCCCC2C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2

> <INCHI_KEY>
NNBZCPXTIHJBJL-UHFFFAOYSA-N

> <FORMULA>
C10H18

> <MOLECULAR_WEIGHT>
138.254

> <EXACT_MASS>
138.14085058

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
17.95412251798824

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
decahydronaphthalene

> <ALOGPS_LOGP>
4.92

> <JCHEM_LOGP>
3.66686161

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
44.103

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.23e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
decalin

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0250288 (Decahydronaphthalene)

HMDB0250288
     RDKit          3D
Decahydronaphthalene
 28 29  0  0  0  0  0  0  0  0999 V2000
    2.5108    0.3940   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030   -0.9701    0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9002   -1.1935    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0215   -0.7870   -0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3944   -1.3352   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729   -0.3071   -0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3197    0.7943    0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9319    1.3056    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0081    0.7036   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    1.3081   -0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658    0.3169   -1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3388    0.8720    0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312   -1.7450   -0.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0464   -1.2863    1.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7582   -2.2235    1.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -0.4962    1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321   -1.1860   -1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5631   -1.6749    0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5453   -2.2026   -0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4407   -0.8168   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047    0.0683   -1.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6676    0.3330    1.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0314    1.6315    0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154    2.4113    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5378    1.1032    1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728    0.9742   -1.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942    1.9707    0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930    2.0377   -1.1590 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  1  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
M  END
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PDB for HMDB0250288 (Decahydronaphthalene)

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2   10                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9    1                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   22    0
END
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3D PDB for HMDB0250288 (Decahydronaphthalene)

COMPND    HMDB0250288
HETATM    1  C1  UNL     1       2.511   0.394  -0.303  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.303  -0.970   0.215  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.900  -1.194   0.756  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.021  -0.787  -0.381  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.394  -1.335  -0.258  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.473  -0.307  -0.572  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.320   0.794   0.468  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.932   1.306   0.574  1.00  0.00           C  
HETATM    9  C9  UNL     1       0.008   0.704  -0.475  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.352   1.308  -0.306  1.00  0.00           C  
HETATM   11  H1  UNL     1       2.966   0.317  -1.334  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.339   0.872   0.302  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.431  -1.745  -0.595  1.00  0.00           H  
HETATM   14  H4  UNL     1       3.046  -1.286   1.004  1.00  0.00           H  
HETATM   15  H5  UNL     1       0.758  -2.224   1.074  1.00  0.00           H  
HETATM   16  H6  UNL     1       0.786  -0.496   1.610  1.00  0.00           H  
HETATM   17  H7  UNL     1       0.432  -1.186  -1.333  1.00  0.00           H  
HETATM   18  H8  UNL     1      -1.563  -1.675   0.786  1.00  0.00           H  
HETATM   19  H9  UNL     1      -1.545  -2.203  -0.959  1.00  0.00           H  
HETATM   20  H10 UNL     1      -3.441  -0.817  -0.406  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.405   0.068  -1.594  1.00  0.00           H  
HETATM   22  H12 UNL     1      -2.668   0.333   1.437  1.00  0.00           H  
HETATM   23  H13 UNL     1      -3.031   1.632   0.280  1.00  0.00           H  
HETATM   24  H14 UNL     1      -0.915   2.411   0.430  1.00  0.00           H  
HETATM   25  H15 UNL     1      -0.538   1.103   1.593  1.00  0.00           H  
HETATM   26  H16 UNL     1      -0.473   0.974  -1.463  1.00  0.00           H  
HETATM   27  H17 UNL     1       1.394   1.971   0.609  1.00  0.00           H  
HETATM   28  H18 UNL     1       1.493   2.038  -1.159  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3   13   14
CONECT    3    4   15   16
CONECT    4    5    9   17
CONECT    5    6   18   19
CONECT    6    7   20   21
CONECT    7    8   22   23
CONECT    8    9   24   25
CONECT    9   10   26
CONECT   10   27   28
END
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SMILES for HMDB0250288 (Decahydronaphthalene)

C1CCC2CCCCC2C1
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INCHI for HMDB0250288 (Decahydronaphthalene)

InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Bicyclo[4.4.0]decaneChEBI
DecahydronaphthalinChEBI
DekahydronaphthalinChEBI
DekalinChEBI
NaphthanChEBI
NaphthaneChEBI
PerhydronaphthaleneChEBI
DecahydronaphthaleneMeSH
DecalinMeSH
Decalin, (cis)-isomerMeSH
Decalin, (trans)-isomerMeSH
NaphthalaneMeSH
Chemical FormulaC10H18
Average Molecular Weight138.254
Monoisotopic Molecular Weight138.14085058
IUPAC Namedecahydronaphthalene
Traditional Namedecalin
CAS Registry NumberNot Available
SMILES
C1CCC2CCCCC2C1
InChI Identifier
InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
InChI KeyNNBZCPXTIHJBJL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassPolycyclic hydrocarbons
Sub ClassNot Available
Direct ParentPolycyclic hydrocarbons
Alternative Parents
Substituents
  • Polycyclic hydrocarbon
  • Saturated hydrocarbon
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
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
logP4.92ALOGPS
logP3.67ChemAxon
logS-5ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity44.1 m³·mol⁻¹ChemAxon
Polarizability17.95 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]+137.53630932474
DeepCCS[M-H]-134.93430932474
DeepCCS[M-2H]-171.35430932474
DeepCCS[M+Na]+146.5330932474
AllCCS[M+H]+133.132859911
AllCCS[M+H-H2O]+128.532859911
AllCCS[M+NH4]+137.432859911
AllCCS[M+Na]+138.632859911
AllCCS[M-H]-136.332859911
AllCCS[M+Na-2H]-137.732859911
AllCCS[M+HCOO]-139.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
DecahydronaphthaleneC1CCC2CCCCC2C11240.3Standard polar33892256
DecahydronaphthaleneC1CCC2CCCCC2C11071.6Standard non polar33892256
DecahydronaphthaleneC1CCC2CCCCC2C11072.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Decahydronaphthalene GC-MS (Non-derivatized) - 70eV, Positivesplash10-053s-9700000000-62e1776bb9c4e5ae5d602021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Decahydronaphthalene 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 - Decahydronaphthalene 10V, Positive-QTOFsplash10-000i-0900000000-0ef3f6550b2343e9584f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 20V, Positive-QTOFsplash10-000i-4900000000-942d728e738e89c9a6212016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 40V, Positive-QTOFsplash10-052f-9300000000-27e4b2074b1ab9915b2a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 10V, Negative-QTOFsplash10-000i-0900000000-a049f19c8969634505a12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 20V, Negative-QTOFsplash10-000i-0900000000-a049f19c8969634505a12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 40V, Negative-QTOFsplash10-000i-3900000000-39520938fdc415fe71012016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 10V, Positive-QTOFsplash10-000i-1900000000-6ba3b263da1bc43b07fe2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 20V, Positive-QTOFsplash10-0a4r-9500000000-2bf75d7b48d69fbf32472021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 40V, Positive-QTOFsplash10-052b-9200000000-ced6382d76ee909171ce2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 10V, Negative-QTOFsplash10-000i-0900000000-005b492eed114057487d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 20V, Negative-QTOFsplash10-000i-0900000000-005b492eed114057487d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Decahydronaphthalene 40V, Negative-QTOFsplash10-000i-0900000000-0a1c46097fa8c831c2a02021-10-12Wishart LabView Spectrum
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 IDC00002334
Chemspider ID6777
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDecalin
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID38853
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1234431
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 ]