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Showing metabocard for (-)-5-(2-Propenyl)-2-oxazolidinethione (HMDB0038439)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:45:24 UTC
Update Date2023-02-21 17:26:34 UTC
HMDB IDHMDB0038439
Secondary Accession Numbers
  • HMDB38439
Metabolite Identification
Common Name(-)-5-(2-Propenyl)-2-oxazolidinethione
Description(-)-5-(2-Propenyl)-2-oxazolidinethione belongs to the class of organic compounds known as oxazolidines. Oxazolidines are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds (-)-5-(2-Propenyl)-2-oxazolidinethione has been detected, but not quantified in, brassicas. This could make (-)-5-(2-propenyl)-2-oxazolidinethione a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (-)-5-(2-Propenyl)-2-oxazolidinethione.
Structure
Data?1677000394
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0038439 ((-)-5-(2-Propenyl)-2-oxazolidinethione)


  Mrv0541 02241218492D          

  9  9  0  0  0  0            999 V2000
   -1.2082    0.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253    1.5418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581    0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    0.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
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3D MOL for HMDB0038439 ((-)-5-(2-Propenyl)-2-oxazolidinethione)

HMDB0038439
     RDKit          3D
(-)-5-(2-Propenyl)-2-oxazolidinethione
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.6230    0.3440    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1304   -0.7431    0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915   -1.0972    0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -0.0651   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6165   -0.5901    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570    0.6686   -0.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267    1.6656    0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0574    3.1445    0.9716 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2204    1.1534    0.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    0.5366    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0082    1.1017   -0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8046   -1.4643    1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104   -1.2590    1.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725   -2.0395    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0305    0.0638   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7358   -0.9448    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675   -1.2987   -0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994    0.8239   -0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
M  END
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3D SDF for HMDB0038439 ((-)-5-(2-Propenyl)-2-oxazolidinethione)


  Mrv0541 02241218492D          

  9  9  0  0  0  0            999 V2000
   -1.2082    0.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253    1.5418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581    0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    0.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038439

> <DATABASE_NAME>
hmdb

> <SMILES>
C=CCC1CNC(=S)O1

> <INCHI_IDENTIFIER>
InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9)

> <INCHI_KEY>
QEKDLBSHZCJKRO-UHFFFAOYSA-N

> <FORMULA>
C6H9NOS

> <MOLECULAR_WEIGHT>
143.207

> <EXACT_MASS>
143.040484605

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
15.118930332911257

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione

> <ALOGPS_LOGP>
0.44

> <JCHEM_LOGP>
1.6107016129999998

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.723231165303133

> <JCHEM_POLAR_SURFACE_AREA>
21.259999999999998

> <JCHEM_REFRACTIVITY>
40.596

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0038439 ((-)-5-(2-Propenyl)-2-oxazolidinethione)

HMDB0038439
     RDKit          3D
(-)-5-(2-Propenyl)-2-oxazolidinethione
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.6230    0.3440    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1304   -0.7431    0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915   -1.0972    0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -0.0651   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6165   -0.5901    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570    0.6686   -0.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267    1.6656    0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0574    3.1445    0.9716 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2204    1.1534    0.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    0.5366    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0082    1.1017   -0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8046   -1.4643    1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104   -1.2590    1.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725   -2.0395    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0305    0.0638   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7358   -0.9448    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675   -1.2987   -0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994    0.8239   -0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
M  END
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PDB for HMDB0038439 ((-)-5-(2-Propenyl)-2-oxazolidinethione)

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  N   UNK     0      -2.255   1.012   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -2.255  -0.544   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.855  -1.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.234  -2.567   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.166  -2.878   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.255  -1.789   0.000  0.00  0.00           C+0
HETATM    7  S   UNK     0      -0.234   2.878   0.000  0.00  0.00           S+0
HETATM    8  C   UNK     0      -0.855   1.478   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.077   0.232   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    8                                                            
CONECT    8    1    7    9                                                  
CONECT    9    3    8                                                       
MASTER        0    0    0    0    0    0    0    0    9    0   18    0
END
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3D PDB for HMDB0038439 ((-)-5-(2-Propenyl)-2-oxazolidinethione)

COMPND    HMDB0038439
HETATM    1  C1  UNL     1       2.623   0.344   0.023  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.130  -0.743   0.549  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.692  -1.097   0.577  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.179  -0.065  -0.072  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.617  -0.590   0.047  1.00  0.00           C  
HETATM    6  N1  UNL     1      -2.357   0.669  -0.065  1.00  0.00           N  
HETATM    7  C6  UNL     1      -1.527   1.666   0.521  1.00  0.00           C  
HETATM    8  S1  UNL     1      -2.057   3.144   0.972  1.00  0.00           S  
HETATM    9  O1  UNL     1      -0.220   1.153   0.632  1.00  0.00           O  
HETATM   10  H1  UNL     1       3.688   0.537   0.040  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.008   1.102  -0.451  1.00  0.00           H  
HETATM   12  H3  UNL     1       2.805  -1.464   1.011  1.00  0.00           H  
HETATM   13  H4  UNL     1       0.310  -1.259   1.613  1.00  0.00           H  
HETATM   14  H5  UNL     1       0.572  -2.040   0.002  1.00  0.00           H  
HETATM   15  H6  UNL     1       0.031   0.064  -1.141  1.00  0.00           H  
HETATM   16  H7  UNL     1      -1.736  -0.945   1.070  1.00  0.00           H  
HETATM   17  H8  UNL     1      -1.868  -1.299  -0.739  1.00  0.00           H  
HETATM   18  H9  UNL     1      -3.299   0.824  -0.484  1.00  0.00           H  
CONECT    1    2    2   10   11
CONECT    2    3   12
CONECT    3    4   13   14
CONECT    4    5    9   15
CONECT    5    6   16   17
CONECT    6    7   18
CONECT    7    8    8    9
END
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SMILES for HMDB0038439 ((-)-5-(2-Propenyl)-2-oxazolidinethione)

C=CCC1CNC(=S)O1
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INCHI for HMDB0038439 ((-)-5-(2-Propenyl)-2-oxazolidinethione)

InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
CQPHMDB
Isoquinoline-5-sulfonamide 48HMDB
Chemical FormulaC6H9NOS
Average Molecular Weight143.207
Monoisotopic Molecular Weight143.040484605
IUPAC Name5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione
Traditional Name5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione
CAS Registry Number15216-29-2
SMILES
C=CCC1CNC(=S)O1
InChI Identifier
InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9)
InChI KeyQEKDLBSHZCJKRO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oxazolidines. Oxazolidines are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzolidines
Sub ClassOxazolidines
Direct ParentOxazolidines
Alternative Parents
Substituents
  • Thiocarbamic acid ester
  • Oxazolidine
  • Thiocarbamic acid derivative
  • Oxacycle
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point60 - 61 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility2993 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.71 g/LALOGPS
logP0.44ALOGPS
logP1.61ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)8.72ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area21.26 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity40.6 m³·mol⁻¹ChemAxon
Polarizability15.12 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]+131.67131661259
DarkChem[M-H]-126.93131661259
DeepCCS[M+H]+133.81930932474
DeepCCS[M-H]-131.77330932474
DeepCCS[M-2H]-167.84330932474
DeepCCS[M+Na]+142.53130932474
AllCCS[M+H]+129.632859911
AllCCS[M+H-H2O]+125.032859911
AllCCS[M+NH4]+133.932859911
AllCCS[M+Na]+135.132859911
AllCCS[M-H]-128.132859911
AllCCS[M+Na-2H]-130.232859911
AllCCS[M+HCOO]-132.632859911

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, 2022.3.39 minutes32390414
Predicted by Siyang on May 30, 20229.3723 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20221.65 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid118.8 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid859.4 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid318.6 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid94.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid205.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid75.2 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid264.1 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 Acid324.2 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)306.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid654.7 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid164.3 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid817.7 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid200.7 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid228.0 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate560.3 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA320.5 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water78.4 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(-)-5-(2-Propenyl)-2-oxazolidinethioneC=CCC1CNC(=S)O12449.2Standard polar33892256
(-)-5-(2-Propenyl)-2-oxazolidinethioneC=CCC1CNC(=S)O11333.8Standard non polar33892256
(-)-5-(2-Propenyl)-2-oxazolidinethioneC=CCC1CNC(=S)O11592.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(-)-5-(2-Propenyl)-2-oxazolidinethione,1TMS,isomer #1C=CCC1CN([Si](C)(C)C)C(=S)O11425.1Semi standard non polar33892256
(-)-5-(2-Propenyl)-2-oxazolidinethione,1TMS,isomer #1C=CCC1CN([Si](C)(C)C)C(=S)O11446.0Standard non polar33892256
(-)-5-(2-Propenyl)-2-oxazolidinethione,1TBDMS,isomer #1C=CCC1CN([Si](C)(C)C(C)(C)C)C(=S)O11645.0Semi standard non polar33892256
(-)-5-(2-Propenyl)-2-oxazolidinethione,1TBDMS,isomer #1C=CCC1CN([Si](C)(C)C(C)(C)C)C(=S)O11687.0Standard 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 IDFDB017797
KNApSAcK IDNot Available
Chemspider ID2300696
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3036745
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1868341
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.. .