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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:53:48 UTC
Update Date2022-03-07 02:53:36 UTC
HMDB IDHMDB0033111
Secondary Accession Numbers
  • HMDB33111
Metabolite Identification
Common NameEpijasminoside A
DescriptionEpijasminoside A belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review very few articles have been published on Epijasminoside A.
Structure
Data?1563862354
SynonymsNot Available
Chemical FormulaC16H26O7
Average Molecular Weight330.3734
Monoisotopic Molecular Weight330.167853186
IUPAC Name3,5,5-trimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
Traditional Name3,5,5-trimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
CAS Registry Number189148-81-0
SMILES
CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C16H26O7/c1-8-4-9(18)5-16(2,3)10(8)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h4,10-15,17,19-21H,5-7H2,1-3H3
InChI KeyFOONTNRMWNJWCL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • Hexose monosaccharide
  • O-glycosyl compound
  • Cyclohexenone
  • Monosaccharide
  • Oxane
  • Ketone
  • Cyclic ketone
  • Secondary alcohol
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Primary alcohol
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility14680 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility9.09 g/LALOGPS
logP-0.57ALOGPS
logP-0.53ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)12.21ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area116.45 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity81.46 m³·mol⁻¹ChemAxon
Polarizability34.4 ųChemAxon
Number of Rings2ChemAxon
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]+177.59331661259
DarkChem[M-H]-175.37231661259
DeepCCS[M+H]+179.28130932474
DeepCCS[M-H]-176.92330932474
DeepCCS[M-2H]-210.69930932474
DeepCCS[M+Na]+185.92630932474
AllCCS[M+H]+179.732859911
AllCCS[M+H-H2O]+176.732859911
AllCCS[M+NH4]+182.432859911
AllCCS[M+Na]+183.232859911
AllCCS[M-H]-178.132859911
AllCCS[M+Na-2H]-178.532859911
AllCCS[M+HCOO]-179.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Epijasminoside ACC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O3875.4Standard polar33892256
Epijasminoside ACC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O2537.0Standard non polar33892256
Epijasminoside ACC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O2801.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Epijasminoside A,1TMS,isomer #1CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O2725.8Semi standard non polar33892256
Epijasminoside A,1TMS,isomer #2CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O2720.8Semi standard non polar33892256
Epijasminoside A,1TMS,isomer #3CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O2722.1Semi standard non polar33892256
Epijasminoside A,1TMS,isomer #4CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C2708.4Semi standard non polar33892256
Epijasminoside A,1TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O2741.1Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #1CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2708.1Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C2658.5Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #2CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2708.3Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #3CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2688.7Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O2659.5Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #5CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2700.6Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #6CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2686.4Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O2661.1Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #8CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2716.5Semi standard non polar33892256
Epijasminoside A,2TMS,isomer #9CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O2649.2Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #1CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2714.4Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2605.4Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #2CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2707.4Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2611.2Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #4CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2704.3Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2592.8Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2602.5Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #7CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2693.0Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #8CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2597.6Semi standard non polar33892256
Epijasminoside A,3TMS,isomer #9CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2604.0Semi standard non polar33892256
Epijasminoside A,4TMS,isomer #1CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2732.4Semi standard non polar33892256
Epijasminoside A,4TMS,isomer #2CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2590.9Semi standard non polar33892256
Epijasminoside A,4TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2631.3Semi standard non polar33892256
Epijasminoside A,4TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2584.5Semi standard non polar33892256
Epijasminoside A,4TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2582.6Semi standard non polar33892256
Epijasminoside A,5TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2645.8Semi standard non polar33892256
Epijasminoside A,5TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2806.6Standard non polar33892256
Epijasminoside A,1TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O2957.6Semi standard non polar33892256
Epijasminoside A,1TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2961.3Semi standard non polar33892256
Epijasminoside A,1TBDMS,isomer #3CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2946.6Semi standard non polar33892256
Epijasminoside A,1TBDMS,isomer #4CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2943.3Semi standard non polar33892256
Epijasminoside A,1TBDMS,isomer #5CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O2960.0Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3153.1Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #10CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3112.2Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3147.9Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #3CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3133.7Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #4CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3094.7Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #5CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3138.5Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #6CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3134.2Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #7CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3114.4Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #8CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3148.0Semi standard non polar33892256
Epijasminoside A,2TBDMS,isomer #9CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3087.3Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3370.2Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #10CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3283.8Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3375.5Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #3CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3267.7Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #4CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3368.5Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #5CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3252.5Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #6CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3261.0Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #7CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3366.7Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #8CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3271.2Semi standard non polar33892256
Epijasminoside A,3TBDMS,isomer #9CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3274.6Semi standard non polar33892256
Epijasminoside A,4TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3609.8Semi standard non polar33892256
Epijasminoside A,4TBDMS,isomer #2CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3450.2Semi standard non polar33892256
Epijasminoside A,4TBDMS,isomer #3CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3470.5Semi standard non polar33892256
Epijasminoside A,4TBDMS,isomer #4CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3449.9Semi standard non polar33892256
Epijasminoside A,4TBDMS,isomer #5CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3456.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Epijasminoside A GC-MS (Non-derivatized) - 70eV, Positivesplash10-08mi-9443000000-5eabbbc3e644e80ff26e2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epijasminoside A GC-MS (4 TMS) - 70eV, Positivesplash10-0udi-3311139000-19c8865e2a73bdc052432017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epijasminoside A GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epijasminoside A 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 - Epijasminoside A 10V, Positive-QTOFsplash10-0w30-0918000000-18e5ac8cd75223bfc90f2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 20V, Positive-QTOFsplash10-0udi-1901000000-5d69cd6ba7e14303e34c2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 40V, Positive-QTOFsplash10-0udi-5900000000-c26314ed29d24d46fa882016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 10V, Negative-QTOFsplash10-004i-2619000000-74a476b37f384e1f25f52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 20V, Negative-QTOFsplash10-03fr-3912000000-c9b56172618424cc782b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 40V, Negative-QTOFsplash10-05mx-9600000000-ada8c51f75a39b691d902016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 10V, Negative-QTOFsplash10-004i-0009000000-b2a52e6004143a871b912021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 20V, Negative-QTOFsplash10-004i-4914000000-9042d6837ddd7676a5db2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 40V, Negative-QTOFsplash10-0ab9-9800000000-1a0b7f5451ad0a97d1282021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 10V, Positive-QTOFsplash10-001i-0429000000-8871deff8e9f516560912021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 20V, Positive-QTOFsplash10-001i-2901000000-e740384c82a74f9188002021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epijasminoside A 40V, Positive-QTOFsplash10-0udi-4900000000-d5d2476e0acde4cc7fb42021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • 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 IDFDB011110
KNApSAcK IDC00039132
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound76551288
PDB IDNot Available
ChEBI ID175224
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1833351
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.. .