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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:07:32 UTC
Update Date2021-10-13 07:00:07 UTC
HMDB IDHMDB0036937
Secondary Accession Numbers
  • HMDB36937
Metabolite Identification
Common Name1-O-Caffeoylglucose
Description1-O-Caffeoylglucose belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives. 1-O-Caffeoylglucose is found, on average, in the highest concentration within a few different foods, such as jostaberries (Ribes × nidigrolaria), blackcurrants (Ribes nigrum), and gooseberries (Ribes uva-crispa) and in a lower concentration in rubus (blackberry, raspberry), redcurrants (Ribes rubrum), and strawberries (Fragaria X ananassa). 1-O-Caffeoylglucose has also been detected, but not quantified in, several different foods, such as black elderberries (Sambucus nigra), brassicas, highbush blueberries (Vaccinium corymbosum), radishes (Raphanus sativus), and root vegetables. This could make 1-O-caffeoylglucose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1-O-Caffeoylglucose.
Structure
Data?1563862952
Synonyms
ValueSource
1-Caffeoyl-beta-D-glucoseHMDB
Caffeic-beta-D-glusideHMDB
3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acidGenerator
Chemical FormulaC15H18O9
Average Molecular Weight342.298
Monoisotopic Molecular Weight342.095082174
IUPAC Name3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Traditional Name3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS Registry Number14364-08-0
SMILES
OCC1OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Identifier
InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+
InChI KeyWQSDYZZEIBAPIN-DUXPYHPUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCinnamic acids and derivatives
Sub ClassHydroxycinnamic acids and derivatives
Direct ParentHydroxycinnamic acid glycosides
Alternative Parents
Substituents
  • Hydroxycinnamic acid glycoside
  • O-cinnamoyl glycoside
  • Coumaric acid or derivatives
  • Hexose monosaccharide
  • Cinnamic acid ester
  • Catechol
  • Styrene
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Fatty acid ester
  • Phenol
  • Monocyclic benzene moiety
  • Fatty acyl
  • Monosaccharide
  • Oxane
  • Benzenoid
  • Enoate ester
  • Alpha,beta-unsaturated carboxylic ester
  • Secondary alcohol
  • Carboxylic acid ester
  • Polyol
  • Organoheterocyclic compound
  • Acetal
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Carboxylic acid derivative
  • Organooxygen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Carbonyl group
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point96 - 98 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility710200 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.98 g/LALOGPS
logP10(-0.7) g/LALOGPS
logP10(-0.51) g/LChemAxon
logS10(-1.7) g/LALOGPS
pKa (Strongest Acidic)9.21ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity79.45 m³·mol⁻¹ChemAxon
Polarizability33.25 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-O-CaffeoylglucoseOCC1OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O5314.5Standard polar33892256
1-O-CaffeoylglucoseOCC1OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O3427.4Standard non polar33892256
1-O-CaffeoylglucoseOCC1OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O3287.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1-O-Caffeoylglucose,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O)C1O3334.6Semi standard non polar33892256
1-O-Caffeoylglucose,1TMS,isomer #2C[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)=CC=C1O3293.5Semi standard non polar33892256
1-O-Caffeoylglucose,1TMS,isomer #3C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)C=C1O3300.2Semi standard non polar33892256
1-O-Caffeoylglucose,1TMS,isomer #4C[Si](C)(C)OC1C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(CO)C(O)C1O3338.3Semi standard non polar33892256
1-O-Caffeoylglucose,1TMS,isomer #5C[Si](C)(C)OC1C(O)C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C1O3312.8Semi standard non polar33892256
1-O-Caffeoylglucose,1TMS,isomer #6C[Si](C)(C)OC1C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O3319.5Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O3231.4Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #10C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1O3211.1Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1O3212.6Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1O3219.1Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #13C[Si](C)(C)OC1C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O3270.6Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #14C[Si](C)(C)OC1C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(CO)C(O)C1O[Si](C)(C)C3282.8Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #15C[Si](C)(C)OC1C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C3257.9Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O3243.7Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O3291.5Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O3272.7Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C3282.2Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #6C[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O3220.0Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #7C[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O3220.0Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #8C[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O3225.1Semi standard non polar33892256
1-O-Caffeoylglucose,2TMS,isomer #9C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)C=C1O[Si](C)(C)C3271.5Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O3169.6Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3220.1Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #11C[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O3155.2Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #12C[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O3162.3Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #13C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C3173.3Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #14C[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O3172.8Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #15C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C3178.6Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #16C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3186.1Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #17C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O3140.1Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #18C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O3149.6Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O3159.5Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O3143.6Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #20C[Si](C)(C)OC1C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C3223.4Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O3160.0Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C3144.5Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O3168.1Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O3177.5Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C3165.9Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3224.0Semi standard non polar33892256
1-O-Caffeoylglucose,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3252.5Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O3145.9Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3224.9Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #11C[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O3130.5Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #12C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C3159.8Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #13C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3173.2Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #14C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3155.5Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #15C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O3112.1Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O3156.9Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C3151.7Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3122.7Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3157.1Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3136.2Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3143.3Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3165.9Semi standard non polar33892256
1-O-Caffeoylglucose,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3160.7Semi standard non polar33892256
1-O-Caffeoylglucose,5TMS,isomer #1C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3157.0Semi standard non polar33892256
1-O-Caffeoylglucose,5TMS,isomer #2C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3182.1Semi standard non polar33892256
1-O-Caffeoylglucose,5TMS,isomer #3C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3184.0Semi standard non polar33892256
1-O-Caffeoylglucose,5TMS,isomer #4C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3134.2Semi standard non polar33892256
1-O-Caffeoylglucose,5TMS,isomer #5C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3150.9Semi standard non polar33892256
1-O-Caffeoylglucose,5TMS,isomer #6C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C3141.4Semi standard non polar33892256
1-O-Caffeoylglucose,6TMS,isomer #1C[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3180.7Semi standard non polar33892256
1-O-Caffeoylglucose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O)C1O3606.5Semi standard non polar33892256
1-O-Caffeoylglucose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)=CC=C1O3575.0Semi standard non polar33892256
1-O-Caffeoylglucose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)C=C1O3582.8Semi standard non polar33892256
1-O-Caffeoylglucose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(CO)C(O)C1O3613.0Semi standard non polar33892256
1-O-Caffeoylglucose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C1O3593.6Semi standard non polar33892256
1-O-Caffeoylglucose,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O3599.5Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O3722.1Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O3744.9Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O3740.1Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O3752.9Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O3744.1Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C3746.1Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C3727.3Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O3726.7Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3735.4Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3728.1Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3724.3Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O3740.5Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O3730.9Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O3746.6Semi standard non polar33892256
1-O-Caffeoylglucose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C3778.4Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O3881.4Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3834.6Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O3888.1Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O3898.5Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C3908.6Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O3897.5Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C3898.0Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C3906.2Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O3896.2Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O3908.0Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O3906.5Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3890.7Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3847.7Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3897.8Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3893.9Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3881.2Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3888.0Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3884.1Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3833.9Semi standard non polar33892256
1-O-Caffeoylglucose,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3863.7Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4039.3Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4017.2Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O4062.7Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C4063.9Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4062.9Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4071.5Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O4075.3Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4073.0Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4050.2Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4074.7Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4107.4Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4080.9Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4066.5Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4091.7Semi standard non polar33892256
1-O-Caffeoylglucose,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4074.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1-O-Caffeoylglucose GC-MS (Non-derivatized) - 70eV, Positivesplash10-0mb9-8924000000-8dcaf67405866c5062962017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-O-Caffeoylglucose GC-MS (4 TMS) - 70eV, Positivesplash10-014i-3622019000-a3f9cdb8a10b239cc37f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-O-Caffeoylglucose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 10V, Positive-QTOFsplash10-03e9-0902000000-060c62eea5ffd46733c32016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 20V, Positive-QTOFsplash10-03di-0900000000-4095e641c6e59bd1ad5d2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 40V, Positive-QTOFsplash10-03ki-3900000000-2d97576ff9016d49d7242016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 10V, Negative-QTOFsplash10-03di-0902000000-392d992c921bed6395a42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 20V, Negative-QTOFsplash10-03fr-1900000000-b7971434f49fada40a9a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 40V, Negative-QTOFsplash10-03fu-7900000000-1ffc1c6b603f8d09f1d72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 10V, Positive-QTOFsplash10-0006-0509000000-38ce8d4cc1f7fa8966d12021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 20V, Positive-QTOFsplash10-03l1-1930000000-11d59e94207bd0cf4bbe2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 40V, Positive-QTOFsplash10-08g0-6900000000-5bf886774fb798c507c82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 10V, Negative-QTOFsplash10-004l-0905000000-a6a2ed371eeb9966c66c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 20V, Negative-QTOFsplash10-000l-3955000000-d99303d226dec38278ed2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-O-Caffeoylglucose 40V, Negative-QTOFsplash10-0019-1900000000-4010c4a9d179fc42ef072021-09-25Wishart 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 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 IDFDB015906
KNApSAcK IDC00002718
Chemspider ID13512629
KEGG Compound IDC10433
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6124135
PDB IDNot Available
ChEBI ID167992
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1858251
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.. .