Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 02:55:51 UTC
Update Date2022-03-07 03:17:55 UTC
HMDB IDHMDB0062515
Secondary Accession Numbers
  • HMDB62515
Metabolite Identification
Common NameOxidized-adrenal-ferredoxin
DescriptionOxidized-adrenal-ferredoxin, also known as epinephrine racemic or (+-)-adrenaline, belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Oxidized-adrenal-ferredoxin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a small amount of articles have been published on Oxidized-adrenal-ferredoxin.
Structure
Data?1563866322
Synonyms
ValueSource
(+-)-AdrenalineChEBI
(+-)-EpinephrineChEBI
2-(Methylamino)-1-(3,4-dihydroxyphenyl)ethanolChEBI
DL-AdrenalineChEBI
Epinephrine racemicChEBI
RacepinefrinaChEBI
RacepinefrineChEBI
RacepinefrinumChEBI
Epinephrine, racemic mixtureHMDB
Hydrochloride, racepinephrineHMDB
Mixture epinephrine, racemicHMDB
Adrenaline, racemic mixtureHMDB
MicronefrinHMDB
Mixture adrenaline, racemicHMDB
Racemic mixture adrenalineHMDB
RacepinephrineHMDB
VaponefrinHMDB
Adrenaline, racemicHMDB
Bird brand OF racepinefrine hydrochlorideHMDB
Epinephrine hydrochloride, racemic mixtureHMDB
Racemic adrenalineHMDB
Racemic mixture epinephrineHMDB
Adrenaline hydrochloride, racemic mixtureHMDB
Epinephrine, racemicHMDB
MicronephrineHMDB
Racemic epinephrineHMDB
Racepinephrine hydrochlorideHMDB
Chemical FormulaC9H13NO3
Average Molecular Weight183.2044
Monoisotopic Molecular Weight183.089543287
IUPAC Name4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Traditional Name(+-)-adrenaline
CAS Registry Number329-65-7
SMILES
CNCC(O)C1=CC(O)=C(O)C=C1
InChI Identifier
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
InChI KeyUCTWMZQNUQWSLP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassBenzenediols
Direct ParentCatechols
Alternative Parents
Substituents
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Monocyclic benzene moiety
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Secondary amine
  • Secondary aliphatic amine
  • Aromatic alcohol
  • Alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility18.6 g/lALOGPS
LogP-0.82ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.82ALOGPS
logP-0.43ChemAxon
logS-0.99ALOGPS
pKa (Strongest Acidic)9.69ChemAxon
pKa (Strongest Basic)8.91ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area72.72 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity49.23 m³·mol⁻¹ChemAxon
Polarizability18.89 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+140.70831661259
DarkChem[M-H]-138.60531661259
DeepCCS[M+H]+140.55830932474
DeepCCS[M-H]-137.51330932474
DeepCCS[M-2H]-174.35530932474
DeepCCS[M+Na]+149.89330932474
AllCCS[M+H]+141.532859911
AllCCS[M+H-H2O]+137.332859911
AllCCS[M+NH4]+145.432859911
AllCCS[M+Na]+146.632859911
AllCCS[M-H]-140.632859911
AllCCS[M+Na-2H]-141.532859911
AllCCS[M+HCOO]-142.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Oxidized-adrenal-ferredoxinCNCC(O)C1=CC(O)=C(O)C=C13020.3Standard polar33892256
Oxidized-adrenal-ferredoxinCNCC(O)C1=CC(O)=C(O)C=C11776.4Standard non polar33892256
Oxidized-adrenal-ferredoxinCNCC(O)C1=CC(O)=C(O)C=C11818.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Oxidized-adrenal-ferredoxin,1TMS,isomer #1CNCC(O[Si](C)(C)C)C1=CC=C(O)C(O)=C11838.4Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,1TMS,isomer #2CNCC(O)C1=CC=C(O)C(O[Si](C)(C)C)=C11803.6Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,1TMS,isomer #3CNCC(O)C1=CC=C(O[Si](C)(C)C)C(O)=C11811.0Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,1TMS,isomer #4CN(CC(O)C1=CC=C(O)C(O)=C1)[Si](C)(C)C1996.7Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TMS,isomer #1CNCC(O[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C(O)=C11746.2Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TMS,isomer #2CNCC(O[Si](C)(C)C)C1=CC=C(O)C(O[Si](C)(C)C)=C11739.4Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TMS,isomer #3CN(CC(O[Si](C)(C)C)C1=CC=C(O)C(O)=C1)[Si](C)(C)C1969.3Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TMS,isomer #4CNCC(O)C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C11828.5Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TMS,isomer #5CN(CC(O)C1=CC=C(O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C1946.3Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TMS,isomer #6CN(CC(O)C1=CC=C(O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C1961.7Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,3TMS,isomer #1CNCC(O[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C11779.9Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,3TMS,isomer #2CN(CC(O[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C1906.5Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,3TMS,isomer #3CN(CC(O[Si](C)(C)C)C1=CC=C(O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C1896.9Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,3TMS,isomer #4CN(CC(O)C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C1982.8Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,4TMS,isomer #1CN(CC(O[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C1963.4Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,4TMS,isomer #1CN(CC(O[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C1983.7Standard non polar33892256
Oxidized-adrenal-ferredoxin,4TMS,isomer #1CN(CC(O[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C1949.3Standard polar33892256
Oxidized-adrenal-ferredoxin,1TBDMS,isomer #1CNCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O)C(O)=C12079.7Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,1TBDMS,isomer #2CNCC(O)C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C12059.2Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,1TBDMS,isomer #3CNCC(O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C12068.0Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,1TBDMS,isomer #4CN(CC(O)C1=CC=C(O)C(O)=C1)[Si](C)(C)C(C)(C)C2223.6Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TBDMS,isomer #1CNCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C12229.7Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TBDMS,isomer #2CNCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C12232.4Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TBDMS,isomer #3CN(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O)C(O)=C1)[Si](C)(C)C(C)(C)C2467.2Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TBDMS,isomer #4CNCC(O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C12329.0Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TBDMS,isomer #5CN(CC(O)C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C2445.7Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,2TBDMS,isomer #6CN(CC(O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C2478.3Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,3TBDMS,isomer #1CNCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C12472.5Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,3TBDMS,isomer #2CN(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C2644.3Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,3TBDMS,isomer #3CN(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C2635.7Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,3TBDMS,isomer #4CN(CC(O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C2708.4Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,4TBDMS,isomer #1CN(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C2872.6Semi standard non polar33892256
Oxidized-adrenal-ferredoxin,4TBDMS,isomer #1CN(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C2755.8Standard non polar33892256
Oxidized-adrenal-ferredoxin,4TBDMS,isomer #1CN(CC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C2427.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (3 TMS)splash10-0a4i-3749000000-5e04477d54e6f4a1c4442014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (4 TMS)splash10-014i-0900000000-092882ec13a2a213417e2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-EI-TOF (Non-derivatized)splash10-014i-0900000000-02df1fed2290a4a8b1492017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-EI-TOF (Non-derivatized)splash10-0a4i-1739000000-c4c544645b1cc7d3f5642017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9300000000-d26f1ff13388b2105e302017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (3 TMS) - 70eV, Positivesplash10-007x-7019000000-286cfeb22dc15e2024532017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxidized-adrenal-ferredoxin GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin LC-ESI-QTOF , negative-QTOFsplash10-03di-0900000000-d7db96395ba5098c1b5c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin LC-ESI-QTOF , negative-QTOFsplash10-00di-0900000000-272a764c388aec241faf2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin LC-ESI-QTOF , positive-QTOFsplash10-014i-0900000000-1bbda1c632bd0ca4edbd2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 10V, Positive-QTOFsplash10-0159-0900000000-92937e3a48622f40baed2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 20V, Positive-QTOFsplash10-014r-0900000000-b00275b1e8611c273f022016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 40V, Positive-QTOFsplash10-0k9l-7900000000-065763dae156017492c92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 10V, Negative-QTOFsplash10-001i-0900000000-45c50917c3f404f38e712016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 20V, Negative-QTOFsplash10-01q9-1900000000-713b357534dc0f81ae972016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 40V, Negative-QTOFsplash10-0a4i-5900000000-c6b1d16c9e7e368055572016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 10V, Positive-QTOFsplash10-014r-0900000000-12d3e633dd2bc4dd70702021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 20V, Positive-QTOFsplash10-00ri-2900000000-b797bd5890264522228d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 40V, Positive-QTOFsplash10-0ul4-9400000000-dfc3790bcb74b691d79e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 10V, Negative-QTOFsplash10-001i-0900000000-5901acff97ce4c2c0a862021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 20V, Negative-QTOFsplash10-00ei-0900000000-84dd0413e6ecd127f6402021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxidized-adrenal-ferredoxin 40V, Negative-QTOFsplash10-059f-9800000000-dcfed53f641ae95f47792021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDNot Available
KNApSAcK IDNot Available
Chemspider ID815
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkEpinephrine
METLIN IDNot Available
PubChem Compound838
PDB IDNot Available
ChEBI ID33568
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 ReferencesNot Available