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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:44:16 UTC
Update Date2022-03-07 02:56:10 UTC
HMDB IDHMDB0039322
Secondary Accession Numbers
  • HMDB39322
Metabolite Identification
Common Name3-Glucogallic acid
Description3-Glucogallic acid, also known as 3-glucogallate, belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. 3-Glucogallic acid has been detected, but not quantified in, green vegetables. This could make 3-glucogallic acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3-Glucogallic acid.
Structure
Data?1563863354
Synonyms
ValueSource
3-GlucogallateGenerator
3,4-Dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateGenerator
Gallate 3-glucosideGenerator
Chemical FormulaC13H16O10
Average Molecular Weight332.2601
Monoisotopic Molecular Weight332.074346732
IUPAC Name3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
Traditional Name3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
CAS Registry Number91984-84-8
SMILES
OCC1OC(OC2=CC(=CC(O)=C2O)C(O)=O)C(O)C(O)C1O
InChI Identifier
InChI=1S/C13H16O10/c14-3-7-9(17)10(18)11(19)13(23-7)22-6-2-4(12(20)21)1-5(15)8(6)16/h1-2,7,9-11,13-19H,3H2,(H,20,21)
InChI KeyXRCRYNCPNYQMOB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassTannins
Sub ClassHydrolyzable tannins
Direct ParentHydrolyzable tannins
Alternative Parents
Substituents
  • Hydrolyzable tannin
  • Phenolic glycoside
  • Gallic acid or derivatives
  • Hexose monosaccharide
  • Glycosyl compound
  • Dihydroxybenzoic acid
  • O-glycosyl compound
  • Hydroxybenzoic acid
  • Benzoic acid or derivatives
  • Benzoic acid
  • Phenoxy compound
  • Benzoyl
  • Catechol
  • Phenol ether
  • Phenol
  • Sugar acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Oxane
  • Benzenoid
  • Monosaccharide
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Polyol
  • Acetal
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point244 - 245 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility19.9 g/LALOGPS
logP-1.1ALOGPS
logP-1.5ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)3.93ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area177.14 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity71.4 m³·mol⁻¹ChemAxon
Polarizability29.94 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+178.26231661259
DarkChem[M-H]-170.84231661259
DeepCCS[M+H]+169.91930932474
DeepCCS[M-H]-167.56130932474
DeepCCS[M-2H]-201.36330932474
DeepCCS[M+Na]+176.5930932474
AllCCS[M+H]+174.632859911
AllCCS[M+H-H2O]+171.532859911
AllCCS[M+NH4]+177.532859911
AllCCS[M+Na]+178.332859911
AllCCS[M-H]-169.832859911
AllCCS[M+Na-2H]-169.632859911
AllCCS[M+HCOO]-169.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3-Glucogallic acidOCC1OC(OC2=CC(=CC(O)=C2O)C(O)=O)C(O)C(O)C1O4778.0Standard polar33892256
3-Glucogallic acidOCC1OC(OC2=CC(=CC(O)=C2O)C(O)=O)C(O)C(O)C1O3288.9Standard non polar33892256
3-Glucogallic acidOCC1OC(OC2=CC(=CC(O)=C2O)C(O)=O)C(O)C(O)C1O2945.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3-Glucogallic acid,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C(O)C1O3185.1Semi standard non polar33892256
3-Glucogallic acid,1TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O3197.3Semi standard non polar33892256
3-Glucogallic acid,1TMS,isomer #3C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O3154.5Semi standard non polar33892256
3-Glucogallic acid,1TMS,isomer #4C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C13173.4Semi standard non polar33892256
3-Glucogallic acid,1TMS,isomer #5C[Si](C)(C)OC1C(OC2=CC(C(=O)O)=CC(O)=C2O)OC(CO)C(O)C1O3196.5Semi standard non polar33892256
3-Glucogallic acid,1TMS,isomer #6C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C1O3185.6Semi standard non polar33892256
3-Glucogallic acid,1TMS,isomer #7C[Si](C)(C)OC1C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C1O3185.5Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O)C(O)C(O)C1O3087.1Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1O3104.7Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O[Si](C)(C)C3072.5Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #12C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C13044.7Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #13C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O3044.6Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #14C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O3044.9Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #15C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C3052.3Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #16C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C13053.7Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #17C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C13039.1Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #18C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C13070.9Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #19C[Si](C)(C)OC1C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C)C1O3083.5Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O3112.3Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #20C[Si](C)(C)OC1C(OC2=CC(C(=O)O)=CC(O)=C2O)OC(CO)C(O)C1O[Si](C)(C)C3116.7Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #21C[Si](C)(C)OC1C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C1O[Si](C)(C)C3088.5Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O3062.6Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O3118.4Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O3100.8Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C3112.9Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #7C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C13090.8Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1O3090.8Semi standard non polar33892256
3-Glucogallic acid,2TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1O3075.9Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O2983.9Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3018.0Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2996.9Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3014.0Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3068.6Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3085.3Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3056.1Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #16C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(O)C(O[Si](C)(C)C)=C12970.9Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #17C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C12971.6Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #18C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C12970.4Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #19C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C12969.4Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O2932.5Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O3015.9Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O3031.1Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C3022.4Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O3045.6Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C3007.5Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C3024.9Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #26C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C12943.9Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #27C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C12939.7Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #28C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C12939.6Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #29C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2985.8Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O2996.1Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #30C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2993.7Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #31C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3007.4Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #32C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C12950.3Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #33C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C12964.4Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #34C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C12978.3Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #35C[Si](C)(C)OC1C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3063.4Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O2946.2Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C2984.7Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O)C1O3016.0Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O)C1O3053.1Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O)C(O)C(O[Si](C)(C)C)C1O3029.2Semi standard non polar33892256
3-Glucogallic acid,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O[Si](C)(C)C3049.6Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O)C1O2891.9Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2933.6Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3012.8Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2968.5Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2997.0Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3024.5Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3050.4Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3014.6Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2993.9Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3019.0Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2988.2Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O)C1O2927.1Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3093.4Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #21C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(O)C(O[Si](C)(C)C)=C12925.7Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #22C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C12942.8Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #23C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C12929.8Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #24C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C12935.5Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #25C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C12912.2Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #26C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C12917.6Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O3022.6Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C2993.9Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C3007.1Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)C(O)C(O[Si](C)(C)C)C1O2902.4Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C3002.3Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #31C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C12889.4Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #32C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C12909.7Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #33C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C12899.3Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #34C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2984.8Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #35C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C12946.3Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O[Si](C)(C)C2920.7Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2908.1Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2883.2Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2900.7Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2945.7Semi standard non polar33892256
3-Glucogallic acid,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2994.5Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2907.2Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2985.6Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3006.5Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3033.8Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2994.0Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3047.5Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3024.0Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #16C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C12908.8Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #17C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C12901.7Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #18C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C12918.1Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #19C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C12901.1Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2885.0Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C3007.3Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #21C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C12884.1Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2889.2Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2926.4Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2957.5Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2917.9Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2914.4Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2945.6Semi standard non polar33892256
3-Glucogallic acid,5TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2900.7Semi standard non polar33892256
3-Glucogallic acid,6TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2921.2Semi standard non polar33892256
3-Glucogallic acid,6TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2943.2Semi standard non polar33892256
3-Glucogallic acid,6TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2924.4Semi standard non polar33892256
3-Glucogallic acid,6TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2939.2Semi standard non polar33892256
3-Glucogallic acid,6TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2929.2Semi standard non polar33892256
3-Glucogallic acid,6TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3003.2Semi standard non polar33892256
3-Glucogallic acid,6TMS,isomer #7C[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C12897.5Semi standard non polar33892256
3-Glucogallic acid,7TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2927.9Semi standard non polar33892256
3-Glucogallic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C(O)C1O3476.8Semi standard non polar33892256
3-Glucogallic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O3461.8Semi standard non polar33892256
3-Glucogallic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O3414.3Semi standard non polar33892256
3-Glucogallic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C13456.6Semi standard non polar33892256
3-Glucogallic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C(=O)O)=CC(O)=C2O)OC(CO)C(O)C1O3454.7Semi standard non polar33892256
3-Glucogallic acid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C1O3458.6Semi standard non polar33892256
3-Glucogallic acid,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C1O3457.3Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)C(O)C(O)C1O3545.4Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O3579.9Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C3545.9Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C13550.1Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3548.9Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3554.6Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3531.3Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C13575.7Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C13573.8Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C13568.7Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O3557.5Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O)C1O3563.3Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C(=O)O)=CC(O)=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C3573.4Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C1O[Si](C)(C)C(C)(C)C3556.6Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3518.7Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3573.3Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3567.2Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3567.9Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C13592.0Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O3587.2Semi standard non polar33892256
3-Glucogallic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O3585.6Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O)C1O3674.8Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3655.2Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3670.9Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3658.4Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3673.5Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3705.0Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3668.7Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C13708.6Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C13716.7Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C13694.0Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C13690.5Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3650.3Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O3685.1Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O3686.1Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C3683.9Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O3711.1Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O[Si](C)(C)C(C)(C)C3690.9Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3672.4Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C13676.8Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C13686.1Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C13665.9Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3656.2Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3648.2Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3653.3Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3679.3Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C13657.0Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C13660.6Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C13681.4Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C(=O)O)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3675.1Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3668.8Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3654.2Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3648.6Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3680.6Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3696.9Semi standard non polar33892256
3-Glucogallic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3688.1Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3758.2Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3819.4Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3816.5Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3809.7Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3809.0Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3842.4Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3864.2Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3849.0Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[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)C1O3835.4Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3862.4Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3838.3Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3813.1Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O)=CC(O)=C2O)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)C3850.7Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C13839.6Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C13831.8Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C13787.5Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C13846.3Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C13800.7Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O[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)=C13780.2Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(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)=C1O3821.8Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O[Si](C)(C)C(C)(C)C3807.4Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3817.1Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3842.6Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3829.8Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C13799.2Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C13802.3Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C13811.2Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3805.0Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(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)=C13782.4Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3826.2Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3786.8Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3811.2Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3790.8Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3804.9Semi standard non polar33892256
3-Glucogallic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3836.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3-Glucogallic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0jc0-6945000000-22043489eaf26a084ba42017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Glucogallic acid GC-MS (5 TMS) - 70eV, Positivesplash10-004i-1302019000-5fb076e4f796146448dd2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Glucogallic acid GC-MS (TBDMS_3_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Glucogallic acid GC-MS (TBDMS_4_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Glucogallic acid GC-MS (TBDMS_4_11) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Glucogallic acid GC-MS (TBDMS_4_17) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Glucogallic acid GC-MS (TBDMS_4_18) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Glucogallic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Glucogallic acid GC-MS ("3-Glucogallic acid,3TBDMS,#10" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 10V, Positive-QTOFsplash10-0g59-0915000000-a18316675647c55bacb22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 20V, Positive-QTOFsplash10-0fk9-0900000000-54da38c2f868123541ce2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 40V, Positive-QTOFsplash10-0fi0-1900000000-e9d4d9e5bff73f81bb722016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 10V, Negative-QTOFsplash10-00lr-1927000000-e10770ee8bfecce4e21e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 20V, Negative-QTOFsplash10-016r-0911000000-863f1e77cd335049a3722016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 40V, Negative-QTOFsplash10-01di-3900000000-22919ce173f166aa7d2e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 10V, Positive-QTOFsplash10-1001-0925000000-db70f792187947dd8cb32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 20V, Positive-QTOFsplash10-0umi-0920000000-eb021b539d91975880ce2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 40V, Positive-QTOFsplash10-0pbd-8910000000-8d358beeb209824ccc132021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 10V, Negative-QTOFsplash10-0ho0-0906000000-a7ff53ef6653e90ae51f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 20V, Negative-QTOFsplash10-0l90-0900000000-33754cf4e8d4806a15d52021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Glucogallic acid 40V, Negative-QTOFsplash10-0092-9800000000-0e89930fd0327496593d2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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 IDFDB018875
KNApSAcK IDNot Available
Chemspider ID16055795
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14345564
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.. .