Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:21:35 UTC
Update Date2021-09-14 14:59:29 UTC
HMDB IDHMDB0012240
Secondary Accession Numbers
  • HMDB12240
Metabolite Identification
Common NameIsopentenyladenine-9-N-glucoside
DescriptionIsopentenyladenine-9-N-glucoside belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Isopentenyladenine-9-N-glucoside is a strong basic compound (based on its pKa). Isopentenyladenine-9-N-glucoside is produced when isopentenyladenine and UDP-D-glucose react, with UDP as a byproduct. The reaction is catalyzed by UDP glycosyltransferases.
Structure
Data?1584031462
Synonyms
ValueSource
9-beta-D-Glucopyranosyl-N-(3-methyl-2-butenyl)-9H-purin-6-amineHMDB
9-Β-D-glucopyranosyl-N-(3-methyl-2-butenyl)-9H-purin-6-amineHMDB
Isopentenyladenine 9-glucosideHMDB
N6-(delta2-Isopentenyl)adenine N-glucosideHMDB
N6-(Δ2-isopentenyl)adenine N-glucosideHMDB
Isopentenyladenine-9-N-glucosideHMDB
Chemical FormulaC16H23N5O5
Average Molecular Weight365.39
Monoisotopic Molecular Weight365.169918861
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxane-3,4,5-triol
Traditional Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{6-[(3-methylbut-2-en-1-yl)amino]purin-9-yl}oxane-3,4,5-triol
CAS Registry Number83087-94-9
SMILES
CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)21(7-20-10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1
InChI KeyXEHLLUQVSRLWMH-HDNYONAXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlycosylamines
Alternative Parents
Substituents
  • N-glycosyl compound
  • 6-alkylaminopurine
  • 6-aminopurine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Secondary aliphatic/aromatic amine
  • Monosaccharide
  • N-substituted imidazole
  • Oxane
  • Imidolactam
  • Pyrimidine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Secondary amine
  • Organonitrogen compound
  • Amine
  • Alcohol
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organopnictogen compound
  • Primary alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
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 Solubility2.34 g/LALOGPS
logP-0.21ALOGPS
logP-1.1ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)12.36ChemAxon
pKa (Strongest Basic)3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area145.78 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity93.77 m³·mol⁻¹ChemAxon
Polarizability37.21 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+178.16130932474
DeepCCS[M-H]-175.76630932474
DeepCCS[M-2H]-209.34530932474
DeepCCS[M+Na]+184.51830932474
AllCCS[M+H]+187.332859911
AllCCS[M+H-H2O]+184.632859911
AllCCS[M+NH4]+189.832859911
AllCCS[M+Na]+190.532859911
AllCCS[M-H]-184.432859911
AllCCS[M+Na-2H]-184.632859911
AllCCS[M+HCOO]-184.932859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Isopentenyladenine-9-N-glucoside,1TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3146.9Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3124.7Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O5592.0Standard polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3133.5Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3058.0Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O5438.4Standard polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3137.1Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3044.7Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O5428.7Standard polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3110.1Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3053.9Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C5474.5Standard polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C3167.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C3120.0Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C5289.5Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3086.0Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3086.5Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O5001.3Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3065.1Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3076.6Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C4691.2Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3080.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3083.2Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4994.0Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3060.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3095.7Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C5041.8Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C3082.2Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C3144.3Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C4793.5Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #5CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3077.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #5CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3052.9Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #5CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4896.1Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #6CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3060.6Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #6CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3059.7Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #6CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4881.1Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #7CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C3077.2Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #7CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C3092.5Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #7CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C4650.3Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #8CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3060.8Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #8CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3045.7Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #8CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4939.3Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3084.5Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3076.6Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C4638.2Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3074.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3079.6Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4568.6Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3035.9Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3056.9Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C4260.4Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3062.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3104.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4552.6Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C3057.6Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C3091.6Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C4311.8Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3052.2Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3088.7Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4621.0Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3043.1Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3089.5Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C4299.6Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #6CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3031.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #6CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3100.0Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #6CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C4354.3Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #7CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3067.5Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #7CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3072.5Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #7CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4532.5Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #8CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3046.0Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #8CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3069.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #8CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C4214.6Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3036.9Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3070.5Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C4203.6Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3105.9Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3096.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4262.2Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #2CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3067.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #2CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3065.2Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #2CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C3948.6Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3057.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3087.2Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3936.6Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3048.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3067.4Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3996.9Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3067.0Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3047.0Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3926.5Standard polar33892256
Isopentenyladenine-9-N-glucoside,5TMS,isomer #1CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3114.6Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,5TMS,isomer #1CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3043.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,5TMS,isomer #1CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C3712.9Standard polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3354.2Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3325.0Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O5527.3Standard polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O3347.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O3285.9Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O5376.2Standard polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3343.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3274.4Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5371.1Standard polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3324.6Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3277.3Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5414.0Standard polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3354.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3300.9Standard non polar33892256
Isopentenyladenine-9-N-glucoside,1TBDMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C5170.1Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O3457.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O3511.5Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4952.0Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3436.5Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3486.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4635.7Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3452.2Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3517.5Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4947.3Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3439.5Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3519.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #3CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4989.0Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3457.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3521.9Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C4718.3Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #5CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3426.6Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #5CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3486.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #5CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4867.3Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #6CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3411.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #6CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3495.2Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #6CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4853.2Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #7CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3451.0Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #7CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3501.1Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #7CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C4599.7Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #8CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3413.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #8CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3481.1Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #8CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4905.2Standard polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3453.8Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3489.6Standard non polar33892256
Isopentenyladenine-9-N-glucoside,2TBDMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C4590.8Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3591.6Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3688.2Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4594.7Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3542.1Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3662.0Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #10CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4316.2Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3572.8Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3712.3Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #2CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4580.0Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3575.1Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3684.2Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C4348.4Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3567.1Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3698.0Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #4CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4633.9Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3569.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3684.1Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C4346.6Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #6CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3557.6Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #6CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3693.2Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #6CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4380.9Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #7CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3559.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #7CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3672.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #7CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4564.4Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #8CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3550.4Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #8CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3669.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #8CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C4285.0Standard polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3538.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3679.7Standard non polar33892256
Isopentenyladenine-9-N-glucoside,3TBDMS,isomer #9CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4274.6Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3754.5Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3845.1Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #1CC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4419.4Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #2CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3719.7Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #2CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3784.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #2CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C4158.0Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3706.5Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3814.1Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #3CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4145.8Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3701.9Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3789.8Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #4CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4193.8Standard polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3696.3Semi standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3778.2Standard non polar33892256
Isopentenyladenine-9-N-glucoside,4TBDMS,isomer #5CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4129.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Isopentenyladenine-9-N-glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside LC-ESI-ITFT 14V, positive-QTOFsplash10-0uxr-0298000000-0796a4748cda365375a32020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside LC-ESI-ITFT 15V, positive-QTOFsplash10-001i-0091000000-111dbb8a9b923cf92c742020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside LC-ESI-QQ 10V, positive-QTOFsplash10-014i-0009000000-bebbf847d9187deac15d2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside LC-ESI-QQ 20V, positive-QTOFsplash10-0udi-0491000000-1cf6947895c6e66fc7422020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside LC-ESI-QQ 30V, positive-QTOFsplash10-000i-0910000000-13e448d15e73c5dddae32020-07-21HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside 10V, Positive-QTOFsplash10-0udi-0090000000-417863da7287d5fde5dc2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside 20V, Positive-QTOFsplash10-0udr-0690000000-301d83d7a8957192b1422021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside 40V, Positive-QTOFsplash10-000i-1920000000-41390f115adbb1270a6f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside 10V, Negative-QTOFsplash10-03di-0019000000-98d4ae4ed30f00729bb82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside 20V, Negative-QTOFsplash10-0ik9-1294000000-7ffee300e1191b423e572021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopentenyladenine-9-N-glucoside 40V, Negative-QTOFsplash10-001i-1900000000-e12a92390408e0c807cc2021-09-22Wishart 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 IDFDB028882
KNApSAcK IDC00007548
Chemspider ID9849735
KEGG Compound IDNot Available
BioCyc IDCPD-4603
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11675006
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 ReferencesNot Available