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Showing metabocard for 2'-Hydroxyacetophenone (HMDB0032568)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:50:32 UTC
Update Date2023-02-21 17:22:21 UTC
HMDB IDHMDB0032568
Secondary Accession Numbers
  • HMDB32568
Metabolite Identification
Common Name2'-Hydroxyacetophenone
Description2'-Hydroxyacetophenone, also known as 2-acetylphenol or 2-hydroxyacetylbenzene, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2'-Hydroxyacetophenone is a sweet, hawthorne, and herbal tasting compound. 2'-hydroxyacetophenone has been detected, but not quantified, in several different foods, such as chinese cinnamons, tea, coffee and coffee products, alcoholic beverages, and garden tomato.
Structure
Data?1677000141
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032568 (2'-Hydroxyacetophenone)


  Mrv1652304272018572D          

 10 10  0  0  0  0            999 V2000
   -0.4125    2.1435    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
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    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
   -0.4125    0.7145    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
   -1.6500    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
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3D MOL for HMDB0032568 (2'-Hydroxyacetophenone)

HMDB0032568
     RDKit          3D
2'-Hydroxyacetophenone
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.5170    0.3909   -0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5894   -0.5423    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855   -1.6069    0.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1605   -0.3285    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5840   -1.3427    0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9433   -1.2520    0.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -0.1402    0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8996    0.8565   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4913    0.8000   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.8043   -0.9607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6505    1.3576   -0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4059    0.4956   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5712   -0.0671   -0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239   -2.2034    1.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670   -2.0552    1.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704   -0.0483    0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3676    1.7348   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9322    2.1468   -1.2578 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
M  END
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3D SDF for HMDB0032568 (2'-Hydroxyacetophenone)


  Mrv1652304272018572D          

 10 10  0  0  0  0            999 V2000
   -0.4125    2.1435    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
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    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
   -0.4125    0.7145    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
   -1.6500    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032568

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)C1=CC=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

> <INCHI_KEY>
JECYUBVRTQDVAT-UHFFFAOYSA-N

> <FORMULA>
C8H8O2

> <MOLECULAR_WEIGHT>
136.1479

> <EXACT_MASS>
136.0524295

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
13.893949691221339

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(2-hydroxyphenyl)ethan-1-one

> <ALOGPS_LOGP>
1.57

> <JCHEM_LOGP>
1.8773280129999999

> <ALOGPS_LOGS>
-1.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.46323825206327

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.146532033252216

> <JCHEM_PKA_STRONGEST_BASIC>
-5.194418270901484

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
38.441700000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.53e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
o-acetylphenol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0032568 (2'-Hydroxyacetophenone)

HMDB0032568
     RDKit          3D
2'-Hydroxyacetophenone
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.5170    0.3909   -0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5894   -0.5423    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855   -1.6069    0.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1605   -0.3285    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5840   -1.3427    0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9433   -1.2520    0.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -0.1402    0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8996    0.8565   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4913    0.8000   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.8043   -0.9607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6505    1.3576   -0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4059    0.4956   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5712   -0.0671   -0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239   -2.2034    1.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670   -2.0552    1.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704   -0.0483    0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3676    1.7348   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9322    2.1468   -1.2578 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
M  END
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PDB for HMDB0032568 (2'-Hydroxyacetophenone)

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      -0.770   4.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.770  -1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.770   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      -1.540   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.540   0.000   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -3.080   2.667   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -3.080   0.000   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2    3    4                                                       
CONECT    3    2    5                                                       
CONECT    4    2    7                                                       
CONECT    5    3    8                                                       
CONECT    6    1    7    9                                                  
CONECT    7    4    6    8                                                  
CONECT    8    5    7   10                                                  
CONECT    9    6                                                            
CONECT   10    8                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0032568 (2'-Hydroxyacetophenone)

COMPND    HMDB0032568
HETATM    1  C1  UNL     1      -2.517   0.391  -0.578  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.589  -0.542   0.044  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.086  -1.607   0.522  1.00  0.00           O  
HETATM    4  C3  UNL     1      -0.160  -0.328   0.144  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.584  -1.343   0.782  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.943  -1.252   0.937  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.598  -0.140   0.456  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.900   0.857  -0.166  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.491   0.800  -0.346  1.00  0.00           C  
HETATM   10  O2  UNL     1      -0.133   1.804  -0.961  1.00  0.00           O  
HETATM   11  H1  UNL     1      -2.651   1.358  -0.038  1.00  0.00           H  
HETATM   12  H2  UNL     1      -2.406   0.496  -1.683  1.00  0.00           H  
HETATM   13  H3  UNL     1      -3.571  -0.067  -0.449  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.024  -2.203   1.146  1.00  0.00           H  
HETATM   15  H5  UNL     1       2.467  -2.055   1.432  1.00  0.00           H  
HETATM   16  H6  UNL     1       3.670  -0.048   0.568  1.00  0.00           H  
HETATM   17  H7  UNL     1       2.368   1.735  -0.553  1.00  0.00           H  
HETATM   18  H8  UNL     1      -0.932   2.147  -1.258  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    3    4
CONECT    4    5    5    9
CONECT    5    6   14
CONECT    6    7    7   15
CONECT    7    8   16
CONECT    8    9    9   17
CONECT    9   10
CONECT   10   18
END
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SMILES for HMDB0032568 (2'-Hydroxyacetophenone)

CC(=O)C1=CC=CC=C1O
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INCHI for HMDB0032568 (2'-Hydroxyacetophenone)

InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-(2-Hydroxyphenyl)ethanoneChEBI
2-Hydroxyphenyl methyl ketoneChEBI
Methyl 2-hydroxyphenyl ketoneChEBI
O-AcetylphenolChEBI
O-HydroxyacetophenoneChEBI
O-Hydroxyphenyl methyl ketoneChEBI
1-(2-Hydroxyphenyl)ethanone, 9ciHMDB
2-AcetylphenolHMDB
2-HydroxyacetophenoneHMDB
2-HydroxyacetylbenzeneHMDB
Acetophenone, 2'-hydroxy- (8ci)HMDB
FEMA 3548HMDB
1-(2-Hydroxyphenyl)ethanone, sodium saltMeSH
2'-HydroxyacetophenoneMeSH
Chemical FormulaC8H8O2
Average Molecular Weight136.1479
Monoisotopic Molecular Weight136.0524295
IUPAC Name1-(2-hydroxyphenyl)ethan-1-one
Traditional Nameo-acetylphenol
CAS Registry Number118-93-4
SMILES
CC(=O)C1=CC=CC=C1O
InChI Identifier
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
InChI KeyJECYUBVRTQDVAT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlkyl-phenylketones
Alternative Parents
Substituents
  • Alkyl-phenylketone
  • Acetophenone
  • Aryl alkyl ketone
  • Benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Vinylogous acid
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Industrial application
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point4 - 6 °CNot Available
Boiling Point213.00 °C. @ 717.00 mm HgThe Good Scents Company Information System
Water Solubility7571 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP1.92Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.53 g/LALOGPS
logP1.57ALOGPS
logP1.88ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)9.15ChemAxon
pKa (Strongest Basic)-5.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity38.44 m³·mol⁻¹ChemAxon
Polarizability13.89 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]+128.84931661259
DarkChem[M-H]-123.98331661259
DeepCCS[M+H]+129.21230932474
DeepCCS[M-H]-126.84130932474
DeepCCS[M-2H]-162.76130932474
DeepCCS[M+Na]+137.62630932474
AllCCS[M+H]+127.232859911
AllCCS[M+H-H2O]+122.532859911
AllCCS[M+NH4]+131.732859911
AllCCS[M+Na]+132.932859911
AllCCS[M-H]-125.132859911
AllCCS[M+Na-2H]-126.832859911
AllCCS[M+HCOO]-128.632859911

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, 2022.4.14 minutes32390414
Predicted by Siyang on May 30, 202212.0333 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.1 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1714.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid413.4 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid143.3 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid260.9 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid200.0 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid406.1 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 Acid548.0 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)128.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid964.6 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid373.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1121.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid347.4 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid377.7 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate504.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA268.9 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water113.0 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2'-HydroxyacetophenoneCC(=O)C1=CC=CC=C1O1710.0Standard polar33892256
2'-HydroxyacetophenoneCC(=O)C1=CC=CC=C1O1155.9Standard non polar33892256
2'-HydroxyacetophenoneCC(=O)C1=CC=CC=C1O1172.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2'-Hydroxyacetophenone,1TMS,isomer #1CC(=O)C1=CC=CC=C1O[Si](C)(C)C1362.9Semi standard non polar33892256
2'-Hydroxyacetophenone,1TBDMS,isomer #1CC(=O)C1=CC=CC=C1O[Si](C)(C)C(C)(C)C1605.9Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010500
KNApSAcK IDC00054088
Chemspider ID21105920
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound8375
PDB IDNot Available
ChEBI ID145716
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1013131
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.. .