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Showing metabocard for 2,5-Diethyltetrahydrofuran (HMDB0029574)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:31:14 UTC
Update Date2022-03-07 02:52:12 UTC
HMDB IDHMDB0029574
Secondary Accession Numbers
  • HMDB29574
Metabolite Identification
Common Name2,5-Diethyltetrahydrofuran
Description2,5-Diethyltetrahydrofuran belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. 2,5-Diethyltetrahydrofuran has been detected, but not quantified in, herbs and spices. This could make 2,5-diethyltetrahydrofuran a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 2,5-Diethyltetrahydrofuran.
Structure
Data?1582753437
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029574 (2,5-Diethyltetrahydrofuran)


  Mrv0541 02241208512D          

  9  9  0  0  0  0            999 V2000
    1.9804    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675   -0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2475   -0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775   -0.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2475    0.5356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804    0.4536    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
  3  7  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
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
Download

3D MOL for HMDB0029574 (2,5-Diethyltetrahydrofuran)

HMDB0029574
     RDKit          3D
2,5-Diethyltetrahydrofuran
 25 25  0  0  0  0  0  0  0  0999 V2000
   -2.4595    0.6275    0.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1626    0.4035   -0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -0.2520   -1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6408   -1.5949   -0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2794   -1.3937    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023    0.0557    0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965    0.1019    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7851    1.4606    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2420    0.5059   -0.8500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5712    0.6355    0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0536   -0.1247    1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930    1.6167    0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9988   -0.1738   -1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1732    1.3922   -1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072   -0.3092   -2.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0892   -2.2282   -1.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5456   -2.1795   -0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1810   -1.6016    1.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1681   -2.0866    0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124    0.6575    1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -0.3565    1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632   -0.5882   -0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7329    1.4250   -0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283    2.2242   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1189    1.7827    1.4196 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
  6  9  1  0
  9  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
M  END
Download

3D SDF for HMDB0029574 (2,5-Diethyltetrahydrofuran)


  Mrv0541 02241208512D          

  9  9  0  0  0  0            999 V2000
    1.9804    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675   -0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2475   -0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775   -0.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2475    0.5356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804    0.4536    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
  3  7  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
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029574

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC1CCC(CC)O1

> <INCHI_IDENTIFIER>
InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3

> <INCHI_KEY>
YKWLEIXVUHRKEF-UHFFFAOYSA-N

> <FORMULA>
C8H16O

> <MOLECULAR_WEIGHT>
128.212

> <EXACT_MASS>
128.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
16.098245500071588

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,5-diethyloxolane

> <ALOGPS_LOGP>
3.17

> <JCHEM_LOGP>
2.408541741

> <ALOGPS_LOGS>
-2.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.166146394732086

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
38.439099999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.68e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
furan, 2,5-diethyltetrahydro-

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0029574 (2,5-Diethyltetrahydrofuran)

HMDB0029574
     RDKit          3D
2,5-Diethyltetrahydrofuran
 25 25  0  0  0  0  0  0  0  0999 V2000
   -2.4595    0.6275    0.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1626    0.4035   -0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -0.2520   -1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6408   -1.5949   -0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2794   -1.3937    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023    0.0557    0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965    0.1019    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7851    1.4606    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2420    0.5059   -0.8500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5712    0.6355    0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0536   -0.1247    1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930    1.6167    0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9988   -0.1738   -1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1732    1.3922   -1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072   -0.3092   -2.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0892   -2.2282   -1.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5456   -2.1795   -0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1810   -1.6016    1.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1681   -2.0866    0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124    0.6575    1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -0.3565    1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632   -0.5882   -0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7329    1.4250   -0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283    2.2242   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1189    1.7827    1.4196 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
  6  9  1  0
  9  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
M  END
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PDB for HMDB0029574 (2,5-Diethyltetrahydrofuran)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       3.697   1.155   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.926  -0.231   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.386  -0.231   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.462  -1.463   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.078  -1.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.078   0.539   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.462   1.000   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.310   1.463   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.697   0.847   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    3    6                                                       
CONECT    8    6    9                                                       
CONECT    9    8                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   18    0
END
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3D PDB for HMDB0029574 (2,5-Diethyltetrahydrofuran)

COMPND    HMDB0029574
HETATM    1  C1  UNL     1      -2.459   0.627   0.521  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.163   0.404  -0.908  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.866  -0.252  -1.226  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.641  -1.595  -0.676  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.279  -1.394   0.488  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.702   0.056   0.353  1.00  0.00           C  
HETATM    7  C7  UNL     1       2.197   0.102   0.513  1.00  0.00           C  
HETATM    8  C8  UNL     1       2.785   1.461   0.407  1.00  0.00           C  
HETATM    9  O1  UNL     1       0.242   0.506  -0.850  1.00  0.00           O  
HETATM   10  H1  UNL     1      -3.571   0.635   0.726  1.00  0.00           H  
HETATM   11  H2  UNL     1      -2.054  -0.125   1.218  1.00  0.00           H  
HETATM   12  H3  UNL     1      -2.093   1.617   0.882  1.00  0.00           H  
HETATM   13  H4  UNL     1      -2.999  -0.174  -1.356  1.00  0.00           H  
HETATM   14  H5  UNL     1      -2.173   1.392  -1.440  1.00  0.00           H  
HETATM   15  H6  UNL     1      -0.807  -0.309  -2.354  1.00  0.00           H  
HETATM   16  H7  UNL     1      -0.089  -2.228  -1.428  1.00  0.00           H  
HETATM   17  H8  UNL     1      -1.546  -2.179  -0.431  1.00  0.00           H  
HETATM   18  H9  UNL     1      -0.181  -1.602   1.471  1.00  0.00           H  
HETATM   19  H10 UNL     1       1.168  -2.087   0.433  1.00  0.00           H  
HETATM   20  H11 UNL     1       0.212   0.657   1.161  1.00  0.00           H  
HETATM   21  H12 UNL     1       2.413  -0.357   1.520  1.00  0.00           H  
HETATM   22  H13 UNL     1       2.663  -0.588  -0.222  1.00  0.00           H  
HETATM   23  H14 UNL     1       3.733   1.425  -0.205  1.00  0.00           H  
HETATM   24  H15 UNL     1       2.128   2.224  -0.015  1.00  0.00           H  
HETATM   25  H16 UNL     1       3.119   1.783   1.420  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3   13   14
CONECT    3    4    9   15
CONECT    4    5   16   17
CONECT    5    6   18   19
CONECT    6    7    9   20
CONECT    7    8   21   22
CONECT    8   23   24   25
END
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SMILES for HMDB0029574 (2,5-Diethyltetrahydrofuran)

CCC1CCC(CC)O1
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INCHI for HMDB0029574 (2,5-Diethyltetrahydrofuran)

InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2,5-diethyltetrahydro-FuranHMDB
2,5-DiethyltetrahydrofuraneHMDB
FEMA 3743HMDB
Chemical FormulaC8H16O
Average Molecular Weight128.212
Monoisotopic Molecular Weight128.120115134
IUPAC Name2,5-diethyloxolane
Traditional Namefuran, 2,5-diethyltetrahydro-
CAS Registry Number41239-48-9
SMILES
CCC1CCC(CC)O1
InChI Identifier
InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3
InChI KeyYKWLEIXVUHRKEF-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTetrahydrofurans
Sub ClassNot Available
Direct ParentTetrahydrofurans
Alternative Parents
Substituents
  • Tetrahydrofuran
  • Oxacycle
  • Ether
  • Dialkyl ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point116.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0The Good Scents Company Information System
LogP2.563 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.37 g/LALOGPS
logP3.17ALOGPS
logP2.41ChemAxon
logS-2.5ALOGPS
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity38.44 m³·mol⁻¹ChemAxon
Polarizability16.1 ųChemAxon
Number of Rings1ChemAxon
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]+129.91231661259
DarkChem[M-H]-125.84831661259
DeepCCS[M+H]+137.18230932474
DeepCCS[M-H]-135.08530932474
DeepCCS[M-2H]-171.12830932474
DeepCCS[M+Na]+145.97630932474
AllCCS[M+H]+129.632859911
AllCCS[M+H-H2O]+124.932859911
AllCCS[M+NH4]+134.032859911
AllCCS[M+Na]+135.332859911
AllCCS[M-H]-133.432859911
AllCCS[M+Na-2H]-135.632859911
AllCCS[M+HCOO]-138.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2,5-DiethyltetrahydrofuranCCC1CCC(CC)O11052.9Standard polar33892256
2,5-DiethyltetrahydrofuranCCC1CCC(CC)O1899.3Standard non polar33892256
2,5-DiethyltetrahydrofuranCCC1CCC(CC)O1883.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2,5-Diethyltetrahydrofuran GC-MS (Non-derivatized) - 70eV, Positivesplash10-05dj-9100000000-97660684789804a6f65b2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,5-Diethyltetrahydrofuran GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,5-Diethyltetrahydrofuran 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 - 2,5-Diethyltetrahydrofuran 10V, Positive-QTOFsplash10-004i-2900000000-5e99d161b3209e4bc53c2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 20V, Positive-QTOFsplash10-004i-5900000000-fe1975a7f1800045be372016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 40V, Positive-QTOFsplash10-052e-9000000000-d4460b101fb95278a9382016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 10V, Negative-QTOFsplash10-004i-0900000000-1f7751462fe88967ac942016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 20V, Negative-QTOFsplash10-004i-2900000000-674fd3533010b17663772016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 40V, Negative-QTOFsplash10-0lkc-9100000000-1fcf4e193f5e0bb2c4f72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 10V, Positive-QTOFsplash10-0a4i-9100000000-1ba3324a25dadbd2f5bf2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 20V, Positive-QTOFsplash10-052f-9000000000-583122e6e280b40206e92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 40V, Positive-QTOFsplash10-052f-9000000000-c6c229d200ce2568f4ab2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 10V, Negative-QTOFsplash10-004i-0900000000-3f39c14095478244e3452021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 20V, Negative-QTOFsplash10-004i-5900000000-c5ec15edc2da9f50a6e32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,5-Diethyltetrahydrofuran 40V, Negative-QTOFsplash10-0ar0-9200000000-0acde57f1f5af5730ab02021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB000730
KNApSAcK IDC00054965
Chemspider ID56637
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound62913
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1019011
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.. .