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Showing metabocard for 3-Bromosulfolane (HMDB0040457)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:59:59 UTC
Update Date2023-02-21 17:28:17 UTC
HMDB IDHMDB0040457
Secondary Accession Numbers
  • HMDB40457
Metabolite Identification
Common Name3-Bromosulfolane
DescriptionYuccagenin belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Yuccagenin is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1677000497
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0040457 (3-Bromosulfolane)


  Mrv0541 05061311512D          

  8  8  0  0  0  0            999 V2000
    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
   -0.0997    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
   -0.3297   -0.8227    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9728    1.8330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    1.8330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  8  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  6  2  0  0  0  0
  8  7  2  0  0  0  0
M  END
Download

3D MOL for HMDB0040457 (3-Bromosulfolane)

HMDB0040457
     RDKit          3D
3-Bromosulfolane
 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.9301    2.3845   -0.7875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    1.3292    0.1833 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9437    1.6332    1.5901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432    0.8806    0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099   -0.6186    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060   -1.0867   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5097   -2.9179   -0.1062 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168   -0.2557   -0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067    1.3310    0.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5601    1.0731   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9114   -1.1748    0.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788   -0.7532    1.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -1.0027   -1.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9857   -0.1305   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8453   -0.6918    0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  2  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  1  0
  8 14  1  0
  8 15  1  0
M  END
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3D SDF for HMDB0040457 (3-Bromosulfolane)


  Mrv0541 05061311512D          

  8  8  0  0  0  0            999 V2000
    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
   -0.0997    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
   -0.3297   -0.8227    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9728    1.8330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    1.8330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  8  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  6  2  0  0  0  0
  8  7  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040457

> <DATABASE_NAME>
hmdb

> <SMILES>
BrC1CCS(=O)(=O)C1

> <INCHI_IDENTIFIER>
InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2

> <INCHI_KEY>
IPOKQKBJDASROB-UHFFFAOYSA-N

> <FORMULA>
C4H7BrO2S

> <MOLECULAR_WEIGHT>
199.066

> <EXACT_MASS>
197.935012805

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
14.7531430771273

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-bromo-1λ⁶-thiolane-1,1-dione

> <ALOGPS_LOGP>
0.69

> <JCHEM_LOGP>
-0.19840633566666677

> <ALOGPS_LOGS>
-1.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
34.8468

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-bromo-1λ⁶-thiolane-1,1-dione

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0040457 (3-Bromosulfolane)

HMDB0040457
     RDKit          3D
3-Bromosulfolane
 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.9301    2.3845   -0.7875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    1.3292    0.1833 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9437    1.6332    1.5901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432    0.8806    0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099   -0.6186    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060   -1.0867   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5097   -2.9179   -0.1062 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168   -0.2557   -0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067    1.3310    0.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5601    1.0731   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9114   -1.1748    0.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788   -0.7532    1.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -1.0027   -1.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9857   -0.1305   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8453   -0.6918    0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  2  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  1  0
  8 14  1  0
  8 15  1  0
M  END
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PDB for HMDB0040457 (3-Bromosulfolane)

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       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.186   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 Br   UNK     0      -0.615  -1.536   0.000  0.00  0.00          Br+0
HETATM    6  O   UNK     0       1.816   3.422   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       0.304   3.422   0.000  0.00  0.00           O+0
HETATM    8  S   UNK     0       1.060   2.080   0.000  0.00  0.00           S+0
CONECT    1    2    4                                                       
CONECT    2    1    8                                                       
CONECT    3    4    8                                                       
CONECT    4    1    3    5                                                  
CONECT    5    4                                                            
CONECT    6    8                                                            
CONECT    7    8                                                            
CONECT    8    2    3    6    7                                             
MASTER        0    0    0    0    0    0    0    0    8    0   16    0
END
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3D PDB for HMDB0040457 (3-Bromosulfolane)

COMPND    HMDB0040457
HETATM    1  O1  UNL     1      -0.930   2.385  -0.788  1.00  0.00           O  
HETATM    2  S1  UNL     1      -0.597   1.329   0.183  1.00  0.00           S  
HETATM    3  O2  UNL     1      -0.944   1.633   1.590  1.00  0.00           O  
HETATM    4  C1  UNL     1       1.143   0.881   0.135  1.00  0.00           C  
HETATM    5  C2  UNL     1       1.010  -0.619   0.337  1.00  0.00           C  
HETATM    6  C3  UNL     1      -0.106  -1.087  -0.541  1.00  0.00           C  
HETATM    7 BR1  UNL     1      -0.510  -2.918  -0.106  1.00  0.00          BR  
HETATM    8  C4  UNL     1      -1.317  -0.256  -0.250  1.00  0.00           C  
HETATM    9  H1  UNL     1       1.707   1.331   0.951  1.00  0.00           H  
HETATM   10  H2  UNL     1       1.560   1.073  -0.876  1.00  0.00           H  
HETATM   11  H3  UNL     1       1.911  -1.175   0.089  1.00  0.00           H  
HETATM   12  H4  UNL     1       0.679  -0.753   1.395  1.00  0.00           H  
HETATM   13  H5  UNL     1       0.224  -1.003  -1.608  1.00  0.00           H  
HETATM   14  H6  UNL     1      -1.986  -0.131  -1.126  1.00  0.00           H  
HETATM   15  H7  UNL     1      -1.845  -0.692   0.615  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4    8
CONECT    4    5    9   10
CONECT    5    6   11   12
CONECT    6    7    8   13
CONECT    8   14   15
END
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SMILES for HMDB0040457 (3-Bromosulfolane)

BrC1CCS(=O)(=O)C1
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INCHI for HMDB0040457 (3-Bromosulfolane)

InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
3-Bromotetrahydrothiophene 1,1-dioxideHMDB
3-Bromotetrahydrothiophene-1,1-dioxideHMDB
BromosulfolaneHMDB
tetrahydro-3-Bromothiophene 1,1-dioxideHMDB
Thiophene, 3-bromotetrahydro-, 1,1-dioxideHMDB
Thiophene, tetrahydro-3-bromo-, 1,1-dioxideHMDB
3-BromosulpholaneGenerator
Chemical FormulaC4H7BrO2S
Average Molecular Weight199.066
Monoisotopic Molecular Weight197.935012805
IUPAC Name3-bromo-1λ⁶-thiolane-1,1-dione
Traditional Name3-bromo-1λ⁶-thiolane-1,1-dione
CAS Registry Number14008-53-8
SMILES
BrC1CCS(=O)(=O)C1
InChI Identifier
InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2
InChI KeyIPOKQKBJDASROB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTriterpenoids
Direct ParentTriterpenoids
Alternative Parents
Substituents
  • Triterpenoid
  • Spirostane skeleton
  • 3-hydroxy-delta-5-steroid
  • 3-hydroxysteroid
  • 2-hydroxysteroid
  • Hydroxysteroid
  • Delta-5-steroid
  • Steroid
  • Ketal
  • Oxane
  • Tetrahydrofuran
  • Cyclic alcohol
  • 1,2-diol
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Organooxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point46 - 47 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility8.06 g/LALOGPS
logP0.69ALOGPS
logP-0.2ChemAxon
logS-1.4ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity34.85 m³·mol⁻¹ChemAxon
Polarizability14.75 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
DeepCCS[M+H]+127.48130932474
DeepCCS[M-H]-124.65130932474
DeepCCS[M-2H]-161.6530932474
DeepCCS[M+Na]+136.32830932474
AllCCS[M+H]+139.732859911
AllCCS[M+H-H2O]+135.432859911
AllCCS[M+NH4]+143.632859911
AllCCS[M+Na]+144.832859911
AllCCS[M-H]-137.332859911
AllCCS[M+Na-2H]-140.132859911
AllCCS[M+HCOO]-143.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3-BromosulfolaneBrC1CCS(=O)(=O)C12026.3Standard polar33892256
3-BromosulfolaneBrC1CCS(=O)(=O)C11210.5Standard non polar33892256
3-BromosulfolaneBrC1CCS(=O)(=O)C11406.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3-Bromosulfolane GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-9400000000-ca7c4a91fc3b6081cd862017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Bromosulfolane 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 - 3-Bromosulfolane 10V, Positive-QTOFsplash10-0002-1900000000-96c48363a490989d0ca22017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 20V, Positive-QTOFsplash10-01b9-0900000000-b3e39ce0d4010e2ed8142017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 40V, Positive-QTOFsplash10-0ufr-6900000000-fff6f9a063c128c252f62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 10V, Negative-QTOFsplash10-00kb-1900000000-fe0fda7aa9a65d31f12c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 20V, Negative-QTOFsplash10-014i-0900000000-2f1e39affcfd28b20a212017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 40V, Negative-QTOFsplash10-014r-9500000000-ccab842777d349434e002017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 10V, Negative-QTOFsplash10-0002-2900000000-daaf9ffc022fb24f91c62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 20V, Negative-QTOFsplash10-03gj-9800000000-0051fea88f08a432272c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 40V, Negative-QTOFsplash10-03fr-9000000000-12c1fcada5f943c317ba2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 10V, Positive-QTOFsplash10-0002-0900000000-f1517a29736277ca91132021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 20V, Positive-QTOFsplash10-0002-4900000000-49320d5387d974e6e4ad2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Bromosulfolane 40V, Positive-QTOFsplash10-03di-9400000000-205c94349d28999bb5b82021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
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 IDFDB012719
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3777347
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.. .