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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:33:42 UTC
Update Date2022-03-07 02:52:22 UTC
HMDB IDHMDB0029943
Secondary Accession Numbers
  • HMDB29943
Metabolite Identification
Common NameArbutin
DescriptionArbutin, also known as ursin or uvasol, belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Arbutin exists in all living organisms, ranging from bacteria to humans. Arbutin has been detected, but not quantified in, several different foods, such as naranjillas (Solanum quitoense), arctic blackberries (Rubus arcticus), redcurrants (Ribes rubrum), horseradish trees (Moringa oleifera), and canola. This could make arbutin a potential biomarker for the consumption of these foods. Arbutin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Arbutin.
Structure
Data?1601263824
Synonyms
ValueSource
Hydroquinone-O-beta-D-glucopyranosideChEBI
p-Hydroxyphenyl beta-D-glucopyranosideChEBI
p-Hydroxyphenyl beta-D-glucosideChEBI
UrsinChEBI
UvasolChEBI
Hydroquinone-O-b-D-glucopyranosideGenerator
Hydroquinone-O-β-D-glucopyranosideGenerator
p-Hydroxyphenyl b-D-glucopyranosideGenerator
p-Hydroxyphenyl β-D-glucopyranosideGenerator
p-Hydroxyphenyl b-D-glucosideGenerator
p-Hydroxyphenyl β-D-glucosideGenerator
4-Hydroxyphenyl-b-glucopyranosideHMDB
4-Hydroxyphenyl-β-glucopyranosideHMDB
4-Hydroxyphenyl beta-D-glucopyranosideHMDB
4-Hydroxyphenyl β-D-glucopyranosideHMDB
ArbutineHMDB
ArbutosideHMDB
ArbutyneHMDB
Hydroquinone beta-D-glucopyranosideHMDB
Hydroquinone glucoseHMDB
Hydroquinone β-D-glucopyranosideHMDB
beta-ArbutinHMDB
p-ArbutinHMDB
Β-arbutinHMDB
ArbutinChEBI
Chemical FormulaC12H16O7
Average Molecular Weight272.2512
Monoisotopic Molecular Weight272.089602866
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
Traditional Nameβ-arbutin
CAS Registry Number497-76-7
SMILES
OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
InChI KeyBJRNKVDFDLYUGJ-RMPHRYRLSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPhenolic glycosides
Alternative Parents
Substituents
  • Phenolic glycoside
  • Hexose monosaccharide
  • O-glycosyl compound
  • 4-alkoxyphenol
  • Phenoxy compound
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Monosaccharide
  • Benzenoid
  • Oxane
  • Secondary alcohol
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Primary alcohol
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point142 - 143 °CNot Available
Boiling Point561.00 to 562.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility959100 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-1.35Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility39.1 g/LALOGPS
logP-1.4ALOGPS
logP-0.9ChemAxon
logS-0.84ALOGPS
pKa (Strongest Acidic)9.82ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area119.61 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity62.16 m³·mol⁻¹ChemAxon
Polarizability25.88 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
DeepCCS[M+H]+161.23230932474
DeepCCS[M-H]-158.83730932474
DeepCCS[M-2H]-193.32630932474
DeepCCS[M+Na]+167.94130932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ArbutinOC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4307.3Standard polar33892256
ArbutinOC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O2766.0Standard non polar33892256
ArbutinOC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O2574.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Arbutin,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O2474.9Semi standard non polar33892256
Arbutin,1TMS,isomer #2C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C12458.4Semi standard non polar33892256
Arbutin,1TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O2451.1Semi standard non polar33892256
Arbutin,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O2453.1Semi standard non polar33892256
Arbutin,1TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@H]1O2453.6Semi standard non polar33892256
Arbutin,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O2462.3Semi standard non polar33892256
Arbutin,2TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@H]1O[Si](C)(C)C2407.6Semi standard non polar33892256
Arbutin,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O2427.3Semi standard non polar33892256
Arbutin,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O2434.3Semi standard non polar33892256
Arbutin,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C2438.8Semi standard non polar33892256
Arbutin,2TMS,isomer #5C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C12452.2Semi standard non polar33892256
Arbutin,2TMS,isomer #6C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C12434.9Semi standard non polar33892256
Arbutin,2TMS,isomer #7C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C12441.8Semi standard non polar33892256
Arbutin,2TMS,isomer #8C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@@H]1CO2407.7Semi standard non polar33892256
Arbutin,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O2421.3Semi standard non polar33892256
Arbutin,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O2448.1Semi standard non polar33892256
Arbutin,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C2404.2Semi standard non polar33892256
Arbutin,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O2452.6Semi standard non polar33892256
Arbutin,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C2452.2Semi standard non polar33892256
Arbutin,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2420.0Semi standard non polar33892256
Arbutin,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2446.3Semi standard non polar33892256
Arbutin,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2411.5Semi standard non polar33892256
Arbutin,3TMS,isomer #7C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C12441.8Semi standard non polar33892256
Arbutin,3TMS,isomer #8C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C12448.0Semi standard non polar33892256
Arbutin,3TMS,isomer #9C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C12453.1Semi standard non polar33892256
Arbutin,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2488.0Semi standard non polar33892256
Arbutin,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2493.3Semi standard non polar33892256
Arbutin,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2477.1Semi standard non polar33892256
Arbutin,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2465.9Semi standard non polar33892256
Arbutin,4TMS,isomer #5C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C12482.7Semi standard non polar33892256
Arbutin,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2531.6Semi standard non polar33892256
Arbutin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O2712.6Semi standard non polar33892256
Arbutin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C12711.1Semi standard non polar33892256
Arbutin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O2711.3Semi standard non polar33892256
Arbutin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O2703.5Semi standard non polar33892256
Arbutin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@H]1O2712.9Semi standard non polar33892256
Arbutin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O2964.8Semi standard non polar33892256
Arbutin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2925.6Semi standard non polar33892256
Arbutin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2910.6Semi standard non polar33892256
Arbutin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2908.5Semi standard non polar33892256
Arbutin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2915.6Semi standard non polar33892256
Arbutin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C12965.0Semi standard non polar33892256
Arbutin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C12967.8Semi standard non polar33892256
Arbutin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C12962.4Semi standard non polar33892256
Arbutin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@@H]1CO2923.9Semi standard non polar33892256
Arbutin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O2936.1Semi standard non polar33892256
Arbutin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O3194.9Semi standard non polar33892256
Arbutin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C3148.3Semi standard non polar33892256
Arbutin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3203.1Semi standard non polar33892256
Arbutin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3199.2Semi standard non polar33892256
Arbutin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3133.3Semi standard non polar33892256
Arbutin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3164.0Semi standard non polar33892256
Arbutin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3136.2Semi standard non polar33892256
Arbutin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[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]2O)C=C13207.1Semi standard non polar33892256
Arbutin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13212.9Semi standard non polar33892256
Arbutin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13214.0Semi standard non polar33892256
Arbutin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3378.3Semi standard non polar33892256
Arbutin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3404.2Semi standard non polar33892256
Arbutin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3378.4Semi standard non polar33892256
Arbutin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[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)C3362.2Semi standard non polar33892256
Arbutin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[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]2O[Si](C)(C)C(C)(C)C)C=C13374.2Semi standard non polar33892256
Arbutin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[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)C3577.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Arbutin GC-MS (5 TMS)splash10-0uxr-1971000000-e8260464bad4d4a7fa0c2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Arbutin GC-EI-TOF (Non-derivatized)splash10-0uxs-0940000000-9984522469f86670798f2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Arbutin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0r00-9750000000-b52a5d3b5fb7e98f00092017-07-27Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Arbutin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Arbutin 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 - Arbutin DI-ESI-qTof , Positive-QTOFsplash10-0002-0090000000-a7028a3a9618849334b72017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin Linear Ion Trap , negative-QTOFsplash10-0229-0920000000-532b692f9942a62cc7c82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin Linear Ion Trap , negative-QTOFsplash10-0229-0910000000-1cb0580496288b7004fc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin Linear Ion Trap , positive-QTOFsplash10-001i-0950000000-4bafd0325d0163331c0a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin Linear Ion Trap , positive-QTOFsplash10-001i-0950000000-ffffdfe1cd448f0ea1352017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin Linear Ion Trap , positive-QTOFsplash10-016r-0290000000-0ebc801fded534434aa52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin Linear Ion Trap , positive-QTOFsplash10-016r-0390000000-5831b5a141106482d24d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin 75V, Negative-QTOFsplash10-0a4i-0900000000-e517344bdabb66a133e92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin 60V, Negative-QTOFsplash10-0a4i-0900000000-315daa57d6f694ca71fb2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin 30V, Negative-QTOFsplash10-0a4i-1900000000-df811a65eba1be7fd68d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin 45V, Negative-QTOFsplash10-0a4i-0900000000-4efe3ed1e7614387deb42021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin 90V, Positive-QTOFsplash10-014i-9000000000-6f8b05f1e0b20e00a25f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin 75V, Positive-QTOFsplash10-014i-9100000000-7092290163d0358719362021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin 35V, Negative-QTOFsplash10-0a4i-0900000000-a0b2ea306ed1359002922021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin 15V, Negative-QTOFsplash10-0a4i-1900000000-26385cb99dd5b38d4f3c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Arbutin 90V, Negative-QTOFsplash10-0a4i-0900000000-0a4c12f1e9730c4685ea2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arbutin 10V, Positive-QTOFsplash10-03k9-0970000000-e87519bd2c30ca193e5e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arbutin 20V, Positive-QTOFsplash10-03di-1900000000-f812a22889a4e78717582016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arbutin 40V, Positive-QTOFsplash10-03e9-9600000000-9a8f2b8fb568a07413b42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arbutin 10V, Negative-QTOFsplash10-05fr-1890000000-cb67c77a9f0c57c986bd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arbutin 20V, Negative-QTOFsplash10-0a4i-1910000000-52b74ad8f6f3181df26d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arbutin 40V, Negative-QTOFsplash10-0a4i-5900000000-45bf1851196d0254c2392016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arbutin 10V, Negative-QTOFsplash10-0ab9-0950000000-597b2277ebb9d13fbb412021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arbutin 20V, Negative-QTOFsplash10-0ab9-4940000000-6a46c2768079c1935cb92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arbutin 40V, Negative-QTOFsplash10-0a4i-7900000000-56f28af9a02294ffb2fa2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart 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 IDDB11217
Phenol Explorer Compound IDNot Available
FooDB IDFDB030911
KNApSAcK IDC00002638
Chemspider ID389765
KEGG Compound IDC06186
BioCyc IDHYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE
BiGG IDNot Available
Wikipedia LinkArbutin
METLIN IDNot Available
PubChem Compound440936
PDB IDNot Available
ChEBI ID18305
Food Biomarker OntologyNot Available
VMH IDARBT
MarkerDB IDNot Available
Good Scents IDrw1653821
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Siegers C, Bodinet C, Ali SS, Siegers CP: Bacterial deconjugation of arbutin by Escherichia coli. Phytomedicine. 2003;10 Suppl 4:58-60. [PubMed:12807345 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .