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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:33:19 UTC
Update Date2022-03-07 02:56:06 UTC
HMDB IDHMDB0039185
Secondary Accession Numbers
  • HMDB39185
Metabolite Identification
Common Name1,4,6-Trigalloyl-beta-D-glucopyranose
Description1,4,6-Trigalloyl-beta-D-glucopyranose belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). 1,4,6-Trigalloyl-beta-D-glucopyranose is found, on average, in the highest concentration within a few different foods, such as teas (Camellia sinensis), red tea, and herbal tea and in a lower concentration in green tea and black tea. 1,4,6-Trigalloyl-beta-D-glucopyranose has also been detected, but not quantified in, pomegranates (Punica granatum). This could make 1,4,6-trigalloyl-beta-D-glucopyranose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1,4,6-Trigalloyl-beta-D-glucopyranose.
Structure
Data?1563863328
Synonyms
ValueSource
1,4,6-Trigalloyl-b-D-glucopyranoseGenerator
1,4,6-Trigalloyl-β-D-glucopyranoseGenerator
1,4,6-Tri-O-galloyl-beta-D-glucoseHMDB
[4,5-Dihydroxy-3,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acidGenerator
Chemical FormulaC27H24O18
Average Molecular Weight636.4687
Monoisotopic Molecular Weight636.096263964
IUPAC Name4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate
Traditional Name4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate
CAS Registry Number94513-58-3
SMILES
OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC1OC(=O)C1=CC(O)=C(O)C(O)=C1
InChI Identifier
InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-23(44-25(40)9-3-13(30)19(35)14(31)4-9)21(37)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2
InChI KeySUAXOYITDJNGFM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: Hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol).
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassTannins
Sub ClassNot Available
Direct ParentTannins
Alternative Parents
Substituents
  • Tannin
  • Galloyl ester
  • Gallic acid or derivatives
  • P-hydroxybenzoic acid alkyl ester
  • M-hydroxybenzoic acid ester
  • P-hydroxybenzoic acid ester
  • Benzoate ester
  • Benzenetriol
  • Benzoic acid or derivatives
  • Tricarboxylic acid or derivatives
  • Pyrogallol derivative
  • Benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monosaccharide
  • Oxane
  • Monocyclic benzene moiety
  • Benzenoid
  • Carboxylic acid ester
  • 1,2-diol
  • Secondary alcohol
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alcohol
  • Organic oxide
  • Organooxygen compound
  • 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 Point204 - 205 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.14 g/LALOGPS
logP1.97ALOGPS
logP1.82ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)7.63ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area310.66 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity143.22 m³·mol⁻¹ChemAxon
Polarizability59.1 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+243.25831661259
DarkChem[M-H]-231.77731661259
DeepCCS[M+H]+236.20330932474
DeepCCS[M-H]-234.37830932474
DeepCCS[M-2H]-267.61930932474
DeepCCS[M+Na]+241.80930932474
AllCCS[M+H]+231.332859911
AllCCS[M+H-H2O]+230.332859911
AllCCS[M+NH4]+232.232859911
AllCCS[M+Na]+232.532859911
AllCCS[M-H]-226.732859911
AllCCS[M+Na-2H]-228.332859911
AllCCS[M+HCOO]-230.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1,4,6-Trigalloyl-beta-D-glucopyranoseOC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC1OC(=O)C1=CC(O)=C(O)C(O)=C17822.0Standard polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranoseOC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC1OC(=O)C1=CC(O)=C(O)C(O)=C15208.9Standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranoseOC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC1OC(=O)C1=CC(O)=C(O)C(O)=C15949.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1,4,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #1C[Si](C)(C)OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O6065.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #2C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C16021.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6041.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #4C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O5989.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6041.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #6C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5989.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6041.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TMS,isomer #8C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O5989.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5944.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5871.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #11C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5859.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5873.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #13C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O5860.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5827.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #15C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5800.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5828.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O5800.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5868.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5799.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #2C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O5920.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O5796.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #21C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5728.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O5800.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #23C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)C=C1O5727.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5827.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5797.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5865.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5799.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5800.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #29C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5729.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5942.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5869.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5801.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #4C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5917.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5943.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #6C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O5918.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #7C[Si](C)(C)OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C5989.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5873.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TMS,isomer #9C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O5860.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5713.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5689.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #11C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)C=C1O5641.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #12C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O5794.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #13C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5800.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5713.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #15C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O5684.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5758.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5718.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #18C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5793.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5688.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5691.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #20C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5640.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O5802.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O5758.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C5721.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #24C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O5793.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5653.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5630.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5658.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5628.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O5706.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5717.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C5665.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5626.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #32C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5583.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5628.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #34C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C2O)C=C1O5582.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5653.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O5623.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5706.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5661.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5628.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5689.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #40C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5582.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O5705.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #42C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C5664.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #43C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5580.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #44C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5533.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5650.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #46C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O5589.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5649.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #48C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5589.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #49C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5537.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O5804.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #50C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O5442.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #51C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5616.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #52C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5548.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #53C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5655.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #54C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5593.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #55C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5655.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #56C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C2O)=CC(O)=C1O5594.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #57C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5615.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #58C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5549.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #59C[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5648.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O5759.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #60C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O5533.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #61C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O5440.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #62C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5610.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #63C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5546.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #64C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O5444.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #65C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5368.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #66C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5616.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #67C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5550.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #68C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5652.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #69C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5591.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C5722.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #70C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5651.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #71C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O5590.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #72C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5613.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #73C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5548.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #74C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5648.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #75C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5618.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #76C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5552.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #77C[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5649.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O5686.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,3TMS,isomer #9C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5642.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O6325.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C16255.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6205.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O6217.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6203.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6217.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6205.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)C=C1O6217.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O6383.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6292.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6266.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O6293.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O6266.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O6242.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6221.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2O)=CC(O)=C1O6245.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O6222.8Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O6282.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C6217.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O6349.7Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC(O)=C1O6218.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C=C1O6193.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)=CC(O)=C1O6223.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C2O)C=C1O6192.9Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6243.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6219.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O6284.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C6214.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O6222.5Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6194.4Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O6381.1Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O6283.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C6218.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6349.6Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O6382.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2C(COC(=O)C3=CC(O)=C(O)C(O)=C3)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O6349.0Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C(C)(C)C6518.2Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O6294.3Semi standard non polar33892256
1,4,6-Trigalloyl-beta-D-glucopyranose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O6266.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (Non-derivatized) - 70eV, Positivesplash10-0gb9-0311900000-16e97236a2fd0a82ee152017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 10V, Positive-QTOFsplash10-014r-0520907000-dc29de70f345ea39912b2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 20V, Positive-QTOFsplash10-0gi0-0920502000-6fe13b0cb61d6ad716c12015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 40V, Positive-QTOFsplash10-0uk9-1910100000-fe0cb657696c60f8dc332015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 10V, Negative-QTOFsplash10-00kr-0401609000-960c0dd4aa64537bba392015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 20V, Negative-QTOFsplash10-014i-2930602000-4531d97604fab7b2061c2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 40V, Negative-QTOFsplash10-014i-0900000000-a6898e7479b76f7ca3eb2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 10V, Positive-QTOFsplash10-014s-0310904000-62d397cba1cfdaa874c52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 20V, Positive-QTOFsplash10-0uxr-0920221000-a4df280a4594775fb3812021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 40V, Positive-QTOFsplash10-0002-2691101000-93bc44a8134306e4bc982021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 10V, Negative-QTOFsplash10-00kr-0101609000-54208e292df1ba7883f52021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 20V, Negative-QTOFsplash10-014i-0961713000-e6f51e4161375cc9df1f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4,6-Trigalloyl-beta-D-glucopyranose 40V, Negative-QTOFsplash10-004i-0900000000-bf8596cc923691f3cd0a2021-09-23Wishart 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 IDFDB018713
KNApSAcK IDC00035455
Chemspider ID23170571
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14284610
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.. .