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Showing metabocard for Tetrahydrofurfuryl acetate (HMDB0031176)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:41:28 UTC
Update Date2023-02-21 17:19:57 UTC
HMDB IDHMDB0031176
Secondary Accession Numbers
  • HMDB31176
Metabolite Identification
Common NameTetrahydrofurfuryl acetate
DescriptionTetrahydrofurfuryl acetate 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. Tetrahydrofurfuryl acetate is a sweet, brown, and caramel tasting compound. Based on a literature review very few articles have been published on Tetrahydrofurfuryl acetate.
Structure
Data?1676999997
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0031176 (Tetrahydrofurfuryl acetate)


  Mrv0541 05061305472D          

 10 10  0  0  0  0            999 V2000
   -0.8612    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    3.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
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3D MOL for HMDB0031176 (Tetrahydrofurfuryl acetate)

HMDB0031176
     RDKit          3D
Tetrahydrofurfuryl acetate
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.6221    0.8114    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040   -0.0412    0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100   -1.0673   -0.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.2058    0.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1286   -0.5876    0.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5340   -0.7201   -0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    0.6173   -0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3133    0.6529    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080   -0.8027    0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590   -1.5277   -0.3889 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193    1.8515    0.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3073    0.3650    0.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1454    0.7778   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5963   -0.0952    1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2926   -1.6069    1.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217   -1.0877   -1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001    1.4644   -0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6160    0.5682   -1.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.0930   -0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    1.2554    0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5691   -1.0812    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4013   -1.0453    1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  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  6  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
M  END
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3D SDF for HMDB0031176 (Tetrahydrofurfuryl acetate)


  Mrv0541 05061305472D          

 10 10  0  0  0  0            999 V2000
   -0.8612    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    3.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031176

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)OCC1CCCO1

> <INCHI_IDENTIFIER>
InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3

> <INCHI_KEY>
AAQDYYFAFXGBFZ-UHFFFAOYSA-N

> <FORMULA>
C7H12O3

> <MOLECULAR_WEIGHT>
144.1684

> <EXACT_MASS>
144.07864425

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
15.349225530851772

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxolan-2-ylmethyl acetate

> <ALOGPS_LOGP>
0.57

> <JCHEM_LOGP>
0.3411373700000002

> <ALOGPS_LOGS>
-0.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.16011417691922

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
35.667500000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.58e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
oxolan-2-ylmethyl acetate

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0031176 (Tetrahydrofurfuryl acetate)

HMDB0031176
     RDKit          3D
Tetrahydrofurfuryl acetate
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.6221    0.8114    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040   -0.0412    0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100   -1.0673   -0.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.2058    0.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1286   -0.5876    0.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5340   -0.7201   -0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    0.6173   -0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3133    0.6529    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080   -0.8027    0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590   -1.5277   -0.3889 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193    1.8515    0.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3073    0.3650    0.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1454    0.7778   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5963   -0.0952    1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2926   -1.6069    1.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217   -1.0877   -1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001    1.4644   -0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6160    0.5682   -1.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.0930   -0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    1.2554    0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5691   -1.0812    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4013   -1.0453    1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  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  6  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
M  END
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PDB for HMDB0031176 (Tetrahydrofurfuryl acetate)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.608   6.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.274   5.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.060   6.700   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -0.186   1.175   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -0.274   4.390   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2    3    4                                                       
CONECT    3    2    7                                                       
CONECT    4    2    9                                                       
CONECT    5    7   10                                                       
CONECT    6    1    8   10                                                  
CONECT    7    3    5    9                                                  
CONECT    8    6                                                            
CONECT    9    4    7                                                       
CONECT   10    5    6                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0031176 (Tetrahydrofurfuryl acetate)

COMPND    HMDB0031176
HETATM    1  C1  UNL     1       3.622   0.811   0.031  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.404  -0.041   0.038  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.410  -1.067  -0.697  1.00  0.00           O  
HETATM    4  O2  UNL     1       1.283   0.206   0.780  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.129  -0.588   0.796  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.534  -0.720  -0.548  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.168   0.617  -0.878  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.313   0.653   0.122  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.508  -0.803   0.422  1.00  0.00           C  
HETATM   10  O3  UNL     1      -1.659  -1.528  -0.389  1.00  0.00           O  
HETATM   11  H1  UNL     1       3.419   1.851   0.274  1.00  0.00           H  
HETATM   12  H2  UNL     1       4.307   0.365   0.807  1.00  0.00           H  
HETATM   13  H3  UNL     1       4.145   0.778  -0.940  1.00  0.00           H  
HETATM   14  H4  UNL     1      -0.596  -0.095   1.492  1.00  0.00           H  
HETATM   15  H5  UNL     1       0.293  -1.607   1.185  1.00  0.00           H  
HETATM   16  H6  UNL     1       0.122  -1.088  -1.330  1.00  0.00           H  
HETATM   17  H7  UNL     1      -0.500   1.464  -0.724  1.00  0.00           H  
HETATM   18  H8  UNL     1      -1.616   0.568  -1.899  1.00  0.00           H  
HETATM   19  H9  UNL     1      -3.221   1.093  -0.322  1.00  0.00           H  
HETATM   20  H10 UNL     1      -2.048   1.255   1.000  1.00  0.00           H  
HETATM   21  H11 UNL     1      -3.569  -1.081   0.174  1.00  0.00           H  
HETATM   22  H12 UNL     1      -2.401  -1.045   1.505  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    3    4
CONECT    4    5
CONECT    5    6   14   15
CONECT    6    7   10   16
CONECT    7    8   17   18
CONECT    8    9   19   20
CONECT    9   10   21   22
END
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SMILES for HMDB0031176 (Tetrahydrofurfuryl acetate)

CC(=O)OCC1CCCO1
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INCHI for HMDB0031176 (Tetrahydrofurfuryl acetate)

InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Tetrahydrofurfuryl acetic acidGenerator
2-(Acetoxymethyl)tetrahydrofuranHMDB
2-AcetoxymethyloxolaneHMDB
2-Furanmethanol, tetrahydro-, 2-acetateHMDB
2-Furanmethanol, tetrahydro-, acetateHMDB
FEMA 3055HMDB
Furfuryl alcohol, tetrahydro-, acetateHMDB
Furfuryl alcohol, tetrahydro-, acetate (8ci)HMDB
tetrahydro-2-Furanmethanol acetateHMDB
tetrahydro-2-Furanmethyl acetateHMDB
tetrahydro-2-Furanylmethyl acetateHMDB
tetrahydro-2-Furylmethyl acetateHMDB
(Oxolan-2-yl)methyl acetic acidGenerator
Chemical FormulaC7H12O3
Average Molecular Weight144.1684
Monoisotopic Molecular Weight144.07864425
IUPAC Nameoxolan-2-ylmethyl acetate
Traditional Nameoxolan-2-ylmethyl acetate
CAS Registry Number637-64-9
SMILES
CC(=O)OCC1CCCO1
InChI Identifier
InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
InChI KeyAAQDYYFAFXGBFZ-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
  • Carboxylic acid ester
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Ether
  • Dialkyl ether
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
Role
Industrial application
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point194.00 to 195.00 °C. @ 753.00 mm HgThe Good Scents Company Information System
Water Solubility13840 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.349 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility25.8 g/LALOGPS
logP0.57ALOGPS
logP0.34ChemAxon
logS-0.75ALOGPS
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area35.53 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity35.67 m³·mol⁻¹ChemAxon
Polarizability15.35 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]+132.08631661259
DarkChem[M-H]-128.25631661259
DeepCCS[M+H]+131.21230932474
DeepCCS[M-H]-128.76330932474
DeepCCS[M-2H]-164.98130932474
DeepCCS[M+Na]+140.07730932474
AllCCS[M+H]+131.132859911
AllCCS[M+H-H2O]+126.632859911
AllCCS[M+NH4]+135.232859911
AllCCS[M+Na]+136.432859911
AllCCS[M-H]-131.232859911
AllCCS[M+Na-2H]-133.032859911
AllCCS[M+HCOO]-135.132859911

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. Predicted by Afia on May 17, 2022.3.01 minutes32390414
Predicted by Siyang on May 30, 202211.0257 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20222.69 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid26.0 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1646.6 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid343.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid128.1 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid207.1 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid89.6 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid397.0 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 Acid479.0 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)93.9 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid906.3 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid327.7 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1158.3 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid298.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid316.0 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate420.2 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA314.9 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water120.2 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tetrahydrofurfuryl acetateCC(=O)OCC1CCCO11678.5Standard polar33892256
Tetrahydrofurfuryl acetateCC(=O)OCC1CCCO11033.7Standard non polar33892256
Tetrahydrofurfuryl acetateCC(=O)OCC1CCCO11087.1Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB003195
KNApSAcK IDNot Available
Chemspider ID21105997
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTetrahydrofurfuryl acetate
METLIN IDNot Available
PubChem Compound12506
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1034881
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.. .