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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:47:12 UTC
Update Date2022-03-07 02:55:23 UTC
HMDB IDHMDB0037535
Secondary Accession Numbers
  • HMDB37535
Metabolite Identification
Common NameHesperetin 5-O-glucoside
DescriptionHesperetin 5-O-glucoside belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Thus, hesperetin 5-O-glucoside is considered to be a flavonoid. Hesperetin 5-O-glucoside has been detected, but not quantified in, fruits and peaches (Prunus persica). This could make hesperetin 5-O-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Hesperetin 5-O-glucoside.
Structure
Data?1563863047
Synonyms
ValueSource
Hesperetin 5-glucosideHMDB
Hesperetin 5-O-beta-D-glucosideHMDB
Chemical FormulaC22H24O11
Average Molecular Weight464.4194
Monoisotopic Molecular Weight464.13186161
IUPAC Name7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Namehesperetin 5-O-glucoside
CAS Registry Number69651-80-5
SMILES
COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2OC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3
InChI KeyQSLBWGKNSBMTJL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glycosides
Alternative Parents
Substituents
  • Flavonoid o-glycoside
  • Flavonoid-5-o-glycoside
  • 4p-methoxyflavonoid-skeleton
  • 3'-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Flavanone
  • Flavan
  • Phenolic glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Chromane
  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Aryl alkyl ketone
  • Aryl ketone
  • Phenol ether
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • Benzenoid
  • Oxane
  • Monosaccharide
  • Monocyclic benzene moiety
  • Ketone
  • Secondary alcohol
  • Acetal
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Organooxygen compound
  • Primary alcohol
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point257 - 258 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.39 g/LALOGPS
logP0.08ALOGPS
logP-0.24ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)7.81ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area175.37 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity109.9 m³·mol⁻¹ChemAxon
Polarizability45.67 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+207.34231661259
DarkChem[M-H]-204.80531661259
DeepCCS[M+H]+203.53330932474
DeepCCS[M-H]-201.13830932474
DeepCCS[M-2H]-234.02130932474
DeepCCS[M+Na]+209.44630932474
AllCCS[M+H]+208.332859911
AllCCS[M+H-H2O]+206.132859911
AllCCS[M+NH4]+210.332859911
AllCCS[M+Na]+210.932859911
AllCCS[M-H]-204.032859911
AllCCS[M+Na-2H]-204.932859911
AllCCS[M+HCOO]-205.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Hesperetin 5-O-glucosideCOC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2OC1OC(CO)C(O)C(O)C1O4936.3Standard polar33892256
Hesperetin 5-O-glucosideCOC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2OC1OC(CO)C(O)C(O)C1O4139.3Standard non polar33892256
Hesperetin 5-O-glucosideCOC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2OC1OC(CO)C(O)C(O)C1O4447.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Hesperetin 5-O-glucoside,1TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)O2)C=C1O[Si](C)(C)C4242.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O)C(O)C3O)O2)C=C1O4242.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)O2)C=C1O4261.8Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)O2)C=C1O4217.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)O2)C=C1O4213.8Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)O2)C=C1O4228.5Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O)C(O)C3O)O2)C=C1O[Si](C)(C)C4137.4Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #10COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)O2)C=C1O4128.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #11COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)O2)C=C1O4124.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #12COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)O2)C=C1O4135.2Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #13COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)O2)C=C1O4086.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #14COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)O2)C=C1O4100.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #15COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O4101.2Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)O2)C=C1O[Si](C)(C)C4144.8Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)O2)C=C1O[Si](C)(C)C4117.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)O2)C=C1O[Si](C)(C)C4103.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4125.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)O2)C=C1O4136.4Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)O2)C=C1O4107.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #8COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)O2)C=C1O4101.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TMS,isomer #9COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)O2)C=C1O4099.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)O2)C=C1O[Si](C)(C)C4011.4Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #10COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4037.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #11COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)O2)C=C1O4011.4Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #12COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)O2)C=C1O4010.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #13COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)O2)C=C1O4011.5Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #14COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)O2)C=C1O4001.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #15COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)O2)C=C1O4005.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #16COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O4004.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #17COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)O2)C=C1O4038.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #18COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)O2)C=C1O4075.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #19COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O4050.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)O2)C=C1O[Si](C)(C)C4022.4Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #20COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O4029.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)O2)C=C1O[Si](C)(C)C4012.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4012.4Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)O2)C=C1O[Si](C)(C)C4031.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)O2)C=C1O[Si](C)(C)C4016.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4043.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #8COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)O2)C=C1O[Si](C)(C)C4024.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TMS,isomer #9COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4036.8Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)O2)C=C1O[Si](C)(C)C3960.2Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #10COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3977.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #11COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)O2)C=C1O3951.5Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #12COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)O2)C=C1O3974.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #13COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O3957.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #14COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O3959.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #15COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O4013.8Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)O2)C=C1O[Si](C)(C)C3952.2Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3962.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)O2)C=C1O[Si](C)(C)C3961.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3971.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3968.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)O2)C=C1O[Si](C)(C)C3976.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #8COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4002.2Semi standard non polar33892256
Hesperetin 5-O-glucoside,4TMS,isomer #9COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3989.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,5TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)O2)C=C1O[Si](C)(C)C3917.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,5TMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3934.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,5TMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3923.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,5TMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3910.4Semi standard non polar33892256
Hesperetin 5-O-glucoside,5TMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3960.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,5TMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O3924.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,6TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C)C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C3890.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TBDMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4502.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TBDMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O)C(O)C3O)O2)C=C1O4502.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TBDMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)O2)C=C1O4513.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TBDMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)O2)C=C1O4504.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TBDMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O4502.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,1TBDMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4501.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O)C(O)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4631.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #10COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)O2)C=C1O4605.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #11COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O4614.5Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #12COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4607.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #13COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O4591.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #14COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4610.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #15COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4608.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4609.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4605.2Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4596.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C4595.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)O2)C=C1O4620.1Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)O2)C=C1O4635.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #8COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O4633.4Semi standard non polar33892256
Hesperetin 5-O-glucoside,2TBDMS,isomer #9COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4613.8Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4736.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #10COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C4703.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #11COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)O2)C=C1O4736.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #12COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O4738.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #13COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4731.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #14COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O4736.2Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #15COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4743.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #16COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4747.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #17COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(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)C3O)O2)C=C1O4708.0Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #18COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4737.5Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #19COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4710.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4759.7Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #20COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O4694.3Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4740.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C4732.9Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4690.8Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4706.2Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C4697.4Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #8COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)O2)C=C1O[Si](C)(C)C(C)(C)C4692.6Semi standard non polar33892256
Hesperetin 5-O-glucoside,3TBDMS,isomer #9COC1=CC=C(C2CC(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C4699.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Hesperetin 5-O-glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-05a2-9304600000-f88f8e6dcb293411243f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperetin 5-O-glucoside GC-MS (3 TMS) - 70eV, Positivesplash10-014i-3620009000-43be5135ff5762ca09ee2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperetin 5-O-glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperetin 5-O-glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperetin 5-O-glucoside GC-MS (TBDMS_3_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperetin 5-O-glucoside GC-MS ("Hesperetin 5-O-glucoside,3TBDMS,#13" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 10V, Positive-QTOFsplash10-0uxs-0348900000-c61fad9d7991d2eb15362015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 20V, Positive-QTOFsplash10-0udr-0698100000-ebf7b44be915bda72bab2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 40V, Positive-QTOFsplash10-0udr-1952000000-93b87c57e9d7c5b651af2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 10V, Negative-QTOFsplash10-0ik9-0225900000-5839ebe11fd5250534872015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 20V, Negative-QTOFsplash10-0udi-2389400000-f63db7eaf4d87d39b4e92015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 40V, Negative-QTOFsplash10-0f79-3393000000-f627a23d47f5a8f7ba072015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 10V, Negative-QTOFsplash10-03di-0000900000-cf79ebb36e39105585092021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 20V, Negative-QTOFsplash10-03di-0003900000-0fdc5098546b2ae20da02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 40V, Negative-QTOFsplash10-0ar0-3915000000-b69363fb64df4afdfa482021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 10V, Positive-QTOFsplash10-014i-0005900000-ffaf065f4a1aa73f74032021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 20V, Positive-QTOFsplash10-014r-0009600000-ba5ddc32bfa05f1900e52021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperetin 5-O-glucoside 40V, Positive-QTOFsplash10-014i-0209000000-1d8cc541a9f076065f722021-09-23Wishart 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
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 IDFDB016617
KNApSAcK IDC00008296
Chemspider ID13316152
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound18625123
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.. .