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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 23:12:45 UTC
Update Date2022-03-07 02:55:34 UTC
HMDB IDHMDB0037944
Secondary Accession Numbers
  • HMDB37944
Metabolite Identification
Common Name(-)-Epicatechin 3-O-gallate
Description(-)-Epicatechin 3-O-gallate, also known as 3-O-galloylepicatechin or ECG, belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin (-)-Epicatechin 3-O-gallate is a bitter tasting compound (-)-Epicatechin 3-O-gallate is found, on average, in the highest concentration within a few different foods, such as red tea, herbal tea, and green tea and in a lower concentration in german camomiles (Matricaria recutita), peppermints (Mentha X piperita), and teas (Camellia sinensis) (-)-Epicatechin 3-O-gallate has also been detected, but not quantified in, several different foods, such as pears (Pyrus communis), lettuces (Lactuca sativa), olives (Olea europaea), brussel sprouts (Brassica oleracea var. gemmifera), and apricots (Prunus armeniaca). This could make (-)-epicatechin 3-O-gallate a potential biomarker for the consumption of these foods (-)-Epicatechin 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 a small amount of articles have been published on (-)-Epicatechin 3-O-gallate.
Structure
Data?1563863113
Synonyms
ValueSource
(-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallateChEBI
3-Gallate(-)-epicatecholChEBI
3-O-GalloylepicatechinChEBI
ECGChEBI
TeatanninChEBI
(-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallic acidGenerator
3-Gallic acid(-)-epicatecholGenerator
(-)-Epicatechin 3-O-gallic acidGenerator
(-)-Epicatechin gallateHMDB
(-)-Epicatechin-3-gallateHMDB
(-)-Epicatechin-3-O-gallateHMDB
Epicatechin gallateHMDB, MeSH
Epicatechin gallate, (2R-cis)-isomerHMDB, MeSH
Epicatechol, gallateHMDB
L-Epicatechin gallateHMDB
Epicatechin-3-O-gallateMeSH, HMDB
Epicatechin-3-gallateMeSH, HMDB
Epicatechin-3-galloyl esterMeSH, HMDB
Epicatechin 3-gallic acidGenerator
Chemical FormulaC22H18O10
Average Molecular Weight442.376
Monoisotopic Molecular Weight442.08999678
IUPAC Name(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Traditional Name(-)-epicatechin 3-O-gallate
CAS Registry Number1257-08-5
SMILES
OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)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-TZIWHRDSSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavans
Direct ParentCatechin gallates
Alternative Parents
Substituents
  • Catechin gallate
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Galloyl ester
  • Gallic acid or derivatives
  • P-hydroxybenzoic acid alkyl ester
  • M-hydroxybenzoic acid ester
  • P-hydroxybenzoic acid ester
  • Benzoate ester
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Benzenetriol
  • Benzoic acid or derivatives
  • Pyrogallol derivative
  • Catechol
  • Benzoyl
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Monocyclic benzene moiety
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Ether
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organooxygen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point257 - 258 °CNot Available
Boiling Point861.70 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility36.86 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.670 (est)The Good Scents Company Information System
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available202.902http://allccs.zhulab.cn/database/detail?ID=AllCCS00001419
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
Polarizability41.64 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]+201.19731661259
DarkChem[M-H]-196.69431661259
DeepCCS[M+H]+200.99930932474
DeepCCS[M-H]-198.60330932474
DeepCCS[M-2H]-231.55230932474
DeepCCS[M+Na]+206.98130932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(-)-Epicatechin 3-O-gallateOC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)C(O)=C16151.8Standard polar33892256
(-)-Epicatechin 3-O-gallateOC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)C(O)=C14337.7Standard non polar33892256
(-)-Epicatechin 3-O-gallateOC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)C(O)=C14521.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,1TMS,isomer #2C[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
(-)-Epicatechin 3-O-gallate,1TMS,isomer #3C[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
(-)-Epicatechin 3-O-gallate,1TMS,isomer #4C[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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,1TMS,isomer #6C[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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #10C[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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #11C[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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #12C[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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #13C[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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #14C[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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #15C[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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #16C[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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #7C[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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #8C[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
(-)-Epicatechin 3-O-gallate,2TMS,isomer #9C[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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,3TMS,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)=C2)C=C1O4000.0Semi standard non polar33892256
(-)-Epicatechin 3-O-gallate,3TMS,isomer #17C[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
(-)-Epicatechin 3-O-gallate,3TMS,isomer #18C[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
(-)-Epicatechin 3-O-gallate,3TMS,isomer #19C[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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,3TMS,isomer #20C[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
(-)-Epicatechin 3-O-gallate,3TMS,isomer #21C[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
(-)-Epicatechin 3-O-gallate,3TMS,isomer #22C[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
(-)-Epicatechin 3-O-gallate,3TMS,isomer #23C[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
(-)-Epicatechin 3-O-gallate,3TMS,isomer #24C[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
(-)-Epicatechin 3-O-gallate,3TMS,isomer #25C[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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,4TMS,isomer #21C[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
(-)-Epicatechin 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[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O3974.7Semi standard non polar33892256
(-)-Epicatechin 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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C3990.8Semi standard non polar33892256
(-)-Epicatechin 3-O-gallate,4TMS,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[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C3968.6Semi standard non polar33892256
(-)-Epicatechin 3-O-gallate,4TMS,isomer #25C[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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,1TBDMS,isomer #2CC(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
(-)-Epicatechin 3-O-gallate,1TBDMS,isomer #3CC(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
(-)-Epicatechin 3-O-gallate,1TBDMS,isomer #4CC(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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,1TBDMS,isomer #6CC(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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,2TBDMS,isomer #10CC(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
(-)-Epicatechin 3-O-gallate,2TBDMS,isomer #11CC(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
(-)-Epicatechin 3-O-gallate,2TBDMS,isomer #12CC(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
(-)-Epicatechin 3-O-gallate,2TBDMS,isomer #13CC(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
(-)-Epicatechin 3-O-gallate,2TBDMS,isomer #14CC(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
(-)-Epicatechin 3-O-gallate,2TBDMS,isomer #15CC(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
(-)-Epicatechin 3-O-gallate,2TBDMS,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)=C(O)C(O)=C2)C=C1O[Si](C)(C)C(C)(C)C4868.4Semi standard non polar33892256
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,2TBDMS,isomer #7CC(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
(-)-Epicatechin 3-O-gallate,2TBDMS,isomer #8CC(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
(-)-Epicatechin 3-O-gallate,2TBDMS,isomer #9CC(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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,3TBDMS,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)=C2)C=C1O4849.9Semi standard non polar33892256
(-)-Epicatechin 3-O-gallate,3TBDMS,isomer #17CC(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
(-)-Epicatechin 3-O-gallate,3TBDMS,isomer #18CC(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
(-)-Epicatechin 3-O-gallate,3TBDMS,isomer #19CC(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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,3TBDMS,isomer #20CC(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
(-)-Epicatechin 3-O-gallate,3TBDMS,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)=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
(-)-Epicatechin 3-O-gallate,3TBDMS,isomer #22CC(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
(-)-Epicatechin 3-O-gallate,3TBDMS,isomer #23CC(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
(-)-Epicatechin 3-O-gallate,3TBDMS,isomer #24CC(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
(-)-Epicatechin 3-O-gallate,3TBDMS,isomer #25CC(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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 3-O-gallate,4TBDMS,isomer #21CC(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
(-)-Epicatechin 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[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O4882.6Semi standard non polar33892256
(-)-Epicatechin 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[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
(-)-Epicatechin 3-O-gallate,4TBDMS,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[Si](C)(C)C(C)(C)C)=C2)C=C1O[Si](C)(C)C(C)(C)C4877.6Semi standard non polar33892256
(-)-Epicatechin 3-O-gallate,4TBDMS,isomer #25CC(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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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
(-)-Epicatechin 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 - (-)-Epicatechin 3-O-gallate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0umi-0920000000-718b2102383cc9dc533e2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epicatechin 3-O-gallate GC-MS (3 TMS) - 70eV, Positivesplash10-004l-1490224000-de77e2646c7aba3a8def2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epicatechin 3-O-gallate GC-MS (TBDMS_3_23) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epicatechin 3-O-gallate GC-MS (TBDMS_4_19) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epicatechin 3-O-gallate GC-MS (TBDMS_4_25) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epicatechin 3-O-gallate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epicatechin 3-O-gallate GC-MS ("(-)-Epicatechin 3-O-gallate,3TBDMS,#23" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate Linear Ion Trap , negative-QTOFsplash10-000i-0292000000-ece704ccdb047a088d282017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate Linear Ion Trap , negative-QTOFsplash10-000i-0292000000-d89b96c676e7c3398d8f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate , negative-QTOFsplash10-0170-0950000000-685c095616785cc823032017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate , negative-QTOFsplash10-014i-0940200000-84b58b678cc59833a0252017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate Linear Ion Trap , positive-QTOFsplash10-00di-0290000000-440ff7c7a589e1c058b52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate Linear Ion Trap , positive-QTOFsplash10-00di-0290000000-8f606522637d9033c95f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate Linear Ion Trap , positive-QTOFsplash10-0002-0098500000-0c0b2ca06b9e49aa356b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate Linear Ion Trap , positive-QTOFsplash10-0002-0097500000-7a41879feecb968154e92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate Linear Ion Trap , positive-QTOFsplash10-03di-0029600000-77ceea44aa3ce7f822f92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate Linear Ion Trap , positive-QTOFsplash10-03di-0029600000-7f271696d73430ee74632017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate , positive-QTOFsplash10-00di-0900000000-21da01e01ba7fa12d6cb2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 40V, Positive-QTOFsplash10-00dr-0900000000-1b53eabb63f51dd0886f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 35V, Negative-QTOFsplash10-014i-0900000000-e435428b44afb21a7eee2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 20V, Positive-QTOFsplash10-00dr-0900000000-a3b08dd3f89619c2d4f32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 10V, Positive-QTOFsplash10-00di-0930000000-19d10b8c4fe8d2256c142021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 10V, Negative-QTOFsplash10-014u-0960500000-6417fae49199511389862021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 20V, Negative-QTOFsplash10-014i-0940000000-ce6989df78eb09b24d1f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 40V, Negative-QTOFsplash10-004i-0900000000-cff394f106b307da18572021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 10V, Positive-QTOFsplash10-000l-0920400000-e7005e91544f51f7efe12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 20V, Positive-QTOFsplash10-0079-0910000000-a428a4e56e1884d5b86a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 40V, Positive-QTOFsplash10-0079-2900000000-d86fe441a677946b22052016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 10V, Negative-QTOFsplash10-0006-0310900000-98e9c41598a7496271272016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 20V, Negative-QTOFsplash10-0gdl-0913300000-af1ea1d6588fca8f1f9f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 40V, Negative-QTOFsplash10-00or-0900000000-60192713dbf412058de22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epicatechin 3-O-gallate 10V, Negative-QTOFsplash10-0006-0130900000-406473c14c03e2f286252021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 128 details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 128 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB017114
KNApSAcK IDC00008866
Chemspider ID97034
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkEpicatechin_gallate
METLIN IDNot Available
PubChem Compound107905
PDB IDNot Available
ChEBI ID70255
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1680971
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.. .