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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:29:13 UTC
Update Date2022-03-07 02:52:05 UTC
HMDB IDHMDB0029255
Secondary Accession Numbers
  • HMDB29255
Metabolite Identification
Common Name(-)-Catechin 3-O-gallate
Description(-)-Catechin 3-O-gallate, also known as ent-catechin 3-O-gallic acid, belongs to the class of organic compounds known as 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position (-)-Catechin 3-O-gallate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on (-)-Catechin 3-O-gallate.
Structure
Data?1582753393
Synonyms
ValueSource
(-)-Catechin 3-O-gallic acidGenerator
ent-Catechin 3-O-gallic acidHMDB
Catechin gallateHMDB
ent-Catechin 3-gallic acidHMDB
Chemical FormulaC22H18O10
Average Molecular Weight442.3723
Monoisotopic Molecular Weight442.089996796
IUPAC Name(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Traditional Nameent-catechin 3-O-gallate
CAS Registry NumberNot Available
SMILES
OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1
InChI Identifier
InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
InChI KeyLSHVYAFMTMFKBA-CTNGQTDRSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassLinear 1,3-diarylpropanoids
Sub ClassChalcones and dihydrochalcones
Direct Parent2'-Hydroxy-dihydrochalcones
Alternative Parents
Substituents
  • 2'-hydroxy-dihydrochalcone
  • Cinnamylphenol
  • Alkyl-phenylketone
  • Acylphloroglucinol derivative
  • Butyrophenone
  • Benzenetriol
  • Phloroglucinol derivative
  • Phenylketone
  • Benzoyl
  • Catechol
  • Aryl ketone
  • Aryl alkyl ketone
  • Phenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Monocyclic benzene moiety
  • Vinylogous acid
  • Ketone
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.044 g/LALOGPS
logP2.55ALOGPS
logP3.38ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)8.03ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area177.14 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity109.76 m³·mol⁻¹ChemAxon
Polarizability42.26 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+200.56931661259
DarkChem[M-H]-195.17931661259
DeepCCS[M+H]+208.09630932474
DeepCCS[M-H]-205.84630932474
DeepCCS[M-2H]-239.08830932474
DeepCCS[M+Na]+214.00930932474
AllCCS[M+H]+202.532859911
AllCCS[M+H-H2O]+200.032859911
AllCCS[M+NH4]+204.832859911
AllCCS[M+Na]+205.532859911
AllCCS[M-H]-198.732859911
AllCCS[M+Na-2H]-198.432859911
AllCCS[M+HCOO]-198.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(-)-Catechin 3-O-gallateOC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C16143.4Standard polar33892256
(-)-Catechin 3-O-gallateOC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C14344.9Standard non polar33892256
(-)-Catechin 3-O-gallateOC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C14524.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(-)-Catechin 3-O-gallate,1TMS,isomer #1C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14396.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O)=C1O4378.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TMS,isomer #3C[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)C=C1O4369.5Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TMS,isomer #4C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O4407.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TMS,isomer #5C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O4402.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TMS,isomer #6C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@H](C1=CC=C(O)C(O)=C1)O24342.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C14186.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C4221.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #11C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)[C@H](C1=CC=C(O)C(O)=C1)O24181.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #12C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O4275.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #13C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC=C1O4279.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #14C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O4209.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #15C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C4244.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #16C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O4209.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14244.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14246.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14242.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #5C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14219.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O)=C1O4201.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #7C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O4270.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #8C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O4268.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O4251.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C14042.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14104.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14063.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #12C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O4038.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #13C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O4034.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O4094.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #15C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H](C1=CC=C(O)C(O)=C1)O24057.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #16C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C=C1O4118.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #17C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O4085.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #18C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C4127.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #19C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O4104.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13975.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #20C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC=C1O4067.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4119.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #22C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O4000.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #23C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC=C1O3983.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #24C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O[Si](C)(C)C4084.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #25C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C4111.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #3C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C14033.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #4C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14037.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #5C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14124.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14027.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #7C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14031.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14018.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14018.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13902.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13941.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13937.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #12C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13916.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #13C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13914.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #14C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14003.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #15C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C=C1O3906.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #16C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O3891.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #17C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C3947.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #18C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O3890.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #19C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC=C1O3875.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13882.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #20C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H](C1=CC=C(O)C(O)=C1)O23999.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #21C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O3974.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #22C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C3990.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #23C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C3968.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #24C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC=C1O3961.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #25C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O[Si](C)(C)C3909.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #3C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13862.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #4C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13850.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #5C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13963.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #6C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13942.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #7C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13974.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13943.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13962.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13873.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13917.5Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13910.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #12C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O3890.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #13C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C3897.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #14C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C3890.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #15C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC=C1O3881.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #16C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C3940.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13917.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #3C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13907.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #4C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13911.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #5C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13902.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #6C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13873.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #7C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13937.5Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13923.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,5TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13926.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,6TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13913.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,6TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13905.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,6TMS,isomer #3C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13916.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,6TMS,isomer #4C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13906.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,6TMS,isomer #5C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13933.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,6TMS,isomer #6C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C3915.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14692.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O)=C1O4710.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)C=C1O4724.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O4737.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O4736.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@H](C1=CC=C(O)C(O)=C1)O24657.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14762.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C4844.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)[C@H](C1=CC=C(O)C(O)=C1)O24789.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C=C1O4903.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC=C1O4880.5Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O4803.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C(C)(C)C4868.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O4812.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14842.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14827.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14834.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14818.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O)=C1O4810.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O4904.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC=C1O4889.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O4900.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14796.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14876.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14817.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O4821.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC=C1O4793.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O4866.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[C@H](C1=CC=C(O)C(O)=C1)O24810.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O4933.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O4870.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O[Si](C)(C)C(C)(C)C4893.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC=C1O4904.5Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14764.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=CC=C1O4841.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4861.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C=C1O4849.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC=C1O4819.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C=C1O[Si](C)(C)C(C)(C)C4881.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C(C)(C)C4848.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14791.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14790.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14857.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14826.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14889.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14806.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14862.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14823.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14952.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14906.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14932.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14883.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[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)=C3)[C@H](C3=CC=C(O)C(O)=C3)OC2=C14852.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O4922.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O4877.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O[Si](C)(C)C(C)(C)C4845.5Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC=C1O4900.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=CC=C1O4853.9Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14780.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O[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)=C1)[C@H](C1=CC=C(O)C(O)=C1)O24827.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[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)=C2)C=C1O4882.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O[Si](C)(C)C(C)(C)C4920.0Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O[Si](C)(C)C(C)(C)C4877.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[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)=C2)=CC=C1O4864.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C=C1O[Si](C)(C)C(C)(C)C4897.8Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14875.7Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14855.3Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14964.4Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14948.2Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14848.6Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14869.1Semi standard non polar33892256
(-)-Catechin 3-O-gallate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14927.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Catechin 3-O-gallate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0umi-0920000000-4fa3517d97c5d75608e32017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Catechin 3-O-gallate GC-MS (3 TMS) - 70eV, Positivesplash10-004l-1290134000-df9b324560a7532b2e9e2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Catechin 3-O-gallate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Catechin 3-O-gallate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Catechin 3-O-gallate GC-MS (TBDMS_3_20) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Catechin 3-O-gallate GC-MS (TBDMS_4_19) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Catechin 3-O-gallate GC-MS (TBDMS_4_24) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Catechin 3-O-gallate GC-MS ("(-)-Catechin 3-O-gallate,3TBDMS,#20" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF 30V, Negative-QTOFsplash10-014r-0960000000-25a100df8f984afcaad72017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF , Negative-QTOFsplash10-000x-0000900060-4a06ca59e1125897d6ff2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF 20V, Negative-QTOFsplash10-00kr-0691100000-efd4723359f93df332b62017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF 10V, Negative-QTOFsplash10-0006-0010900000-d409ed603e168c2615bc2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF 40V, Negative-QTOFsplash10-00or-0920000000-1c97743a98715d6b27892017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF 30V, Negative-QTOFsplash10-014r-0960000000-25a100df8f984afcaad72017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF , Negative-QTOFsplash10-000x-0000900060-4a06ca59e1125897d6ff2017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF 20V, Negative-QTOFsplash10-00kr-0691100000-efd4723359f93df332b62017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF 10V, Negative-QTOFsplash10-0006-0010900000-d409ed603e168c2615bc2017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate ESI-TOF 40V, Negative-QTOFsplash10-00or-0920000000-1c97743a98715d6b27892017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate LC-ESI-TOF , negative-QTOFsplash10-014r-0960000000-25a100df8f984afcaad72017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate LC-ESI-TOF , negative-QTOFsplash10-00kr-0691100000-efd4723359f93df332b62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate LC-ESI-TOF , negative-QTOFsplash10-0006-0010900000-d409ed603e168c2615bc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate LC-ESI-TOF , negative-QTOFsplash10-00or-0920000000-1c97743a98715d6b27892017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 30V, Positive-QTOFsplash10-014r-0960000000-eb6e4034d19856ebd97a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 35V, Negative-QTOFsplash10-014i-0900000000-e435428b44afb21a7eee2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 10V, Positive-QTOFsplash10-0006-0010900000-d409ed603e168c2615bc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 40V, Positive-QTOFsplash10-00or-0920000000-99daf65e60cac349f48e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 20V, Positive-QTOFsplash10-00kr-0691100000-93481ca4cc2f9e6dfbf02021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 10V, Positive-QTOFsplash10-000l-0920400000-e7005e91544f51f7efe12016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 20V, Positive-QTOFsplash10-0079-0910000000-a428a4e56e1884d5b86a2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 40V, Positive-QTOFsplash10-0079-2900000000-d86fe441a677946b22052016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 10V, Negative-QTOFsplash10-0006-0310900000-98e9c41598a7496271272016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 20V, Negative-QTOFsplash10-0gdl-0913300000-af1ea1d6588fca8f1f9f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Catechin 3-O-gallate 40V, Negative-QTOFsplash10-00or-0900000000-60192713dbf412058de22016-08-03Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
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 ID146
FooDB IDFDB000097
KNApSAcK IDC00055757
Chemspider ID4925466
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6419835
PDB IDNot Available
ChEBI ID76131
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. Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]