Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:37:27 UTC
Update Date2022-03-07 02:52:35 UTC
HMDB IDHMDB0030530
Secondary Accession Numbers
  • HMDB30530
Metabolite Identification
Common NameJanthitrem F
DescriptionJanthitrem F belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. They cause a neurological disease of cattle known as "staggers syndrome". Generalized seizures may be treated with diazepam followed by methocarbamol or a barbiturate such as pentobarbital sodium. These are terpene compounds formed by four isoprene units. Janthitrem F is an extremely weak basic (essentially neutral) compound (based on its pKa). Janthitrem F is produced by Penicillium janthinellum. Janthitrem F is a potentially toxic compound. This would initially increase neurotransmitter levels, potentiating the GABA-induced chloride current, then lead to decreased levels of neurotransmitter in the synapse. They are thought to inhibit gamma-aminobutyric acid (GABA) receptors, both pre- and postsynaptic, as well as inhibit transmitter breakdown at the GABA-T receptors. Gastric lavage should be performed and activated charcoal administered to limit further absorption of toxins. Tremorgenic mycotoxins affect central nervous system activity.
Structure
Data?1563861999
Synonyms
ValueSource
10-0-Acetyljanthitrem eHMDB
Janthitrem e monoacetateHMDB
12,21-Dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-yl acetic acidGenerator
Chemical FormulaC39H51NO7
Average Molecular Weight645.8247
Monoisotopic Molecular Weight645.366552991
IUPAC Name12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-yl acetate
Traditional Name12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-yl acetate
CAS Registry Number90986-52-0
SMILES
CC(=O)OC1C=C2C(CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC23O)OC1C(C)(C)O
InChI Identifier
InChI=1S/C39H51NO7/c1-19(41)45-29-17-26-28(46-33(29)35(4,5)43)11-12-37(8)38(9)20(10-13-39(26,37)44)14-24-22-15-23-21(16-27(22)40-32(24)38)25-18-34(2,3)47-36(6,7)30(25)31(23)42/h15-18,20,28-31,33,40,42-44H,10-14H2,1-9H3
InChI KeySHMYDSYGDWIPKT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassNaphthopyrans
Sub ClassNot Available
Direct ParentNaphthopyrans
Alternative Parents
Substituents
  • Naphthopyran
  • Naphthalene
  • 3-alkylindole
  • Indane
  • Indole
  • Indole or derivatives
  • Benzenoid
  • Pyran
  • Cyclic alcohol
  • Heteroaromatic compound
  • Tertiary alcohol
  • Pyrrole
  • Carboxylic acid ester
  • Secondary alcohol
  • Carboxylic acid derivative
  • Dialkyl ether
  • Ether
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Azacycle
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Alcohol
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.00074 g/LALOGPS
logP5.53ALOGPS
logP3.94ChemAxon
logS-5.9ALOGPS
pKa (Strongest Acidic)13.44ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area121.24 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity180.21 m³·mol⁻¹ChemAxon
Polarizability75.74 ųChemAxon
Number of Rings8ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+246.47531661259
DarkChem[M-H]-239.43231661259
DeepCCS[M-2H]-286.73630932474
DeepCCS[M+Na]+261.25630932474
AllCCS[M+H]+246.732859911
AllCCS[M+H-H2O]+245.832859911
AllCCS[M+NH4]+247.632859911
AllCCS[M+Na]+247.832859911
AllCCS[M-H]-243.432859911
AllCCS[M+Na-2H]-247.632859911
AllCCS[M+HCOO]-252.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Janthitrem FCC(=O)OC1C=C2C(CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC23O)OC1C(C)(C)O4798.0Standard polar33892256
Janthitrem FCC(=O)OC1C=C2C(CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC23O)OC1C(C)(C)O4292.8Standard non polar33892256
Janthitrem FCC(=O)OC1C=C2C(CCC3(C)C4(C)C(CC5=C4NC4=C5C=C5C(O)C6C(=CC(C)(C)OC6(C)C)C5=C4)CCC23O)OC1C(C)(C)O4909.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Janthitrem F,1TMS,isomer #1CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O[Si](C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O4896.0Semi standard non polar33892256
Janthitrem F,1TMS,isomer #2CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O4938.4Semi standard non polar33892256
Janthitrem F,1TMS,isomer #3CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C4994.5Semi standard non polar33892256
Janthitrem F,1TMS,isomer #4CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C(N([Si](C)(C)C)C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O5052.9Semi standard non polar33892256
Janthitrem F,2TMS,isomer #1CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O[Si](C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O4749.8Semi standard non polar33892256
Janthitrem F,2TMS,isomer #2CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O[Si](C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C4800.9Semi standard non polar33892256
Janthitrem F,2TMS,isomer #3CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C(N([Si](C)(C)C)C5=CC6=C(C=C45)C(O[Si](C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O4826.8Semi standard non polar33892256
Janthitrem F,2TMS,isomer #4CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C4846.6Semi standard non polar33892256
Janthitrem F,2TMS,isomer #5CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C)CCC2CC4=C(N([Si](C)(C)C)C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O4875.7Semi standard non polar33892256
Janthitrem F,2TMS,isomer #6CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C(N([Si](C)(C)C)C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C4944.3Semi standard non polar33892256
Janthitrem F,3TMS,isomer #1CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O[Si](C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C4680.3Semi standard non polar33892256
Janthitrem F,3TMS,isomer #2CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C)CCC2CC4=C(N([Si](C)(C)C)C5=CC6=C(C=C45)C(O[Si](C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O4699.4Semi standard non polar33892256
Janthitrem F,3TMS,isomer #3CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C(N([Si](C)(C)C)C5=CC6=C(C=C45)C(O[Si](C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C4747.8Semi standard non polar33892256
Janthitrem F,3TMS,isomer #4CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C)CCC2CC4=C(N([Si](C)(C)C)C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C4791.9Semi standard non polar33892256
Janthitrem F,1TBDMS,isomer #1CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O[Si](C)(C)C(C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O5092.9Semi standard non polar33892256
Janthitrem F,1TBDMS,isomer #2CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C(C)(C)C)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O5139.6Semi standard non polar33892256
Janthitrem F,1TBDMS,isomer #3CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C(C)(C)C5206.6Semi standard non polar33892256
Janthitrem F,1TBDMS,isomer #4CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C(N([Si](C)(C)C(C)(C)C)C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O5183.5Semi standard non polar33892256
Janthitrem F,2TBDMS,isomer #1CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C(C)(C)C)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O[Si](C)(C)C(C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O5143.7Semi standard non polar33892256
Janthitrem F,2TBDMS,isomer #2CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O[Si](C)(C)C(C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C(C)(C)C5198.0Semi standard non polar33892256
Janthitrem F,2TBDMS,isomer #3CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C(N([Si](C)(C)C(C)(C)C)C5=CC6=C(C=C45)C(O[Si](C)(C)C(C)(C)C)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O5154.4Semi standard non polar33892256
Janthitrem F,2TBDMS,isomer #4CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C(C)(C)C)CCC2CC4=C([NH]C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C(C)(C)C5245.9Semi standard non polar33892256
Janthitrem F,2TBDMS,isomer #5CC(=O)OC1C=C2C(CCC3(C)C2(O[Si](C)(C)C(C)(C)C)CCC2CC4=C(N([Si](C)(C)C(C)(C)C)C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O5195.7Semi standard non polar33892256
Janthitrem F,2TBDMS,isomer #6CC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2CC4=C(N([Si](C)(C)C(C)(C)C)C5=CC6=C(C=C45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O[Si](C)(C)C(C)(C)C5279.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (Non-derivatized) - 70eV, Positivesplash10-053l-6001397000-5e051c0ed275f60036f02017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Janthitrem F GC-MS (TBDMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 10V, Positive-QTOFsplash10-01t9-0000039000-6ccbd252201e95f8c2292016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 20V, Positive-QTOFsplash10-000i-0000094000-1c8bcf53644657bf5cd32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 40V, Positive-QTOFsplash10-015i-4000982000-9cdb46e8bf9e318f52d82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 10V, Negative-QTOFsplash10-0006-3000039000-aef5640a6d964df7e7f92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 20V, Negative-QTOFsplash10-0a7l-5000179000-15e37d5eda64656d53f42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 40V, Negative-QTOFsplash10-0a4i-9100240000-b47f70cc02730de61d5e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 10V, Negative-QTOFsplash10-0zgl-2000049000-45096214cf32661c05f82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 20V, Negative-QTOFsplash10-0a4i-9000000000-c01bbbf5bed889264ddb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 40V, Negative-QTOFsplash10-052f-9100030000-c91f6aab501b617b147d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 10V, Positive-QTOFsplash10-0002-0000029000-860ba3173daf6e70b5c02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 20V, Positive-QTOFsplash10-002k-0001049000-edd099508abf7d5254132021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Janthitrem F 40V, Positive-QTOFsplash10-000b-7586946000-d18ecff3a6fd6da6c8602021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • 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 IDFDB002403
KNApSAcK IDC00023595
Chemspider ID8184978
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10009398
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.. .