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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:10:45 UTC
Update Date2022-03-07 02:55:56 UTC
HMDB IDHMDB0038831
Secondary Accession Numbers
  • HMDB38831
Metabolite Identification
Common Name(-)-Epigallocatechin 3-cinnamate
Description(-)-Epigallocatechin 3-cinnamate belongs to the class of organic compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety (-)-Epigallocatechin 3-cinnamate 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. This could make (-)-epigallocatechin 3-cinnamate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (-)-Epigallocatechin 3-cinnamate.
Structure
Data?1563863266
Synonyms
ValueSource
(-)-Epigallocatechin 3-cinnamic acidGenerator
(-)-Epigallocatechin 3-O-cinnamateHMDB
3-CinnamoylepigallocatechinHMDB
Epigallocatechin 3-cinnamateHMDB
Epigallocatechin 3-O-cinnamateHMDB
Epigallocatechin 3-O-cinnamic acidGenerator
Epigallocatechin 3-cinnamic acidGenerator
Chemical FormulaC24H20O8
Average Molecular Weight436.4108
Monoisotopic Molecular Weight436.115817616
IUPAC Name(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl (2E)-3-phenylprop-2-enoate
Traditional Nameepigallocatechin 3-O-cinnamate
CAS Registry Number108907-46-6
SMILES
OC1=CC2=C(C[C@@H](OC(=O)\C=C\C3=CC=CC=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1
InChI Identifier
InChI=1S/C24H20O8/c25-15-10-17(26)16-12-21(31-22(29)7-6-13-4-2-1-3-5-13)24(32-20(16)11-15)14-8-18(27)23(30)19(28)9-14/h1-11,21,24-28,30H,12H2/b7-6+/t21-,24-/m1/s1
InChI KeyGQGIIUWXMCBYIJ-UMMIVNDFSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavans
Direct ParentEpigallocatechins
Alternative Parents
Substituents
  • Epigallocatechin
  • Hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Cinnamic acid or derivatives
  • Cinnamic acid ester
  • Benzopyran
  • Chromane
  • 1-benzopyran
  • Pyrogallol derivative
  • Benzenetriol
  • Styrene
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Fatty acid ester
  • Benzenoid
  • Fatty acyl
  • Monocyclic benzene moiety
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Ether
  • Carbonyl group
  • Organooxygen compound
  • Organic oxide
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
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 Solubility0.0099 g/LALOGPS
logP3.56ALOGPS
logP4.53ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)8.64ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.68 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity115.55 m³·mol⁻¹ChemAxon
Polarizability43.73 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+203.35430932474
DeepCCS[M-H]-200.95830932474
DeepCCS[M-2H]-234.05430932474
DeepCCS[M+Na]+209.26630932474
AllCCS[M+H]+204.532859911
AllCCS[M+H-H2O]+201.932859911
AllCCS[M+NH4]+206.832859911
AllCCS[M+Na]+207.532859911
AllCCS[M-H]-199.732859911
AllCCS[M+Na-2H]-199.432859911
AllCCS[M+HCOO]-199.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(-)-Epigallocatechin 3-cinnamateOC1=CC2=C(C[C@@H](OC(=O)\C=C\C3=CC=CC=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C16513.5Standard polar33892256
(-)-Epigallocatechin 3-cinnamateOC1=CC2=C(C[C@@H](OC(=O)\C=C\C3=CC=CC=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C14210.3Standard non polar33892256
(-)-Epigallocatechin 3-cinnamateOC1=CC2=C(C[C@@H](OC(=O)\C=C\C3=CC=CC=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C14513.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(-)-Epigallocatechin 3-cinnamate,1TMS,isomer #1C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C14224.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,1TMS,isomer #2C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O)=C1O4201.3Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,1TMS,isomer #3C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)C=C1O4183.2Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,1TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)/C=C/C1=CC=CC=C1)[C@@H](C1=CC(O)=C(O)C(O)=C1)O24177.3Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C14001.6Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C14035.2Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C14035.8Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TMS,isomer #4C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O)=C1O4023.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TMS,isomer #5C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O[Si](C)(C)C)=C1O4084.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TMS,isomer #6C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O)=C1O[Si](C)(C)C4041.4Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TMS,isomer #7C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)/C=C/C1=CC=CC=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O23995.3Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13911.3Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13915.2Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C13988.8Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13947.1Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TMS,isomer #5C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O[Si](C)(C)C)=C1O3978.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TMS,isomer #6C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)/C=C/C1=CC=CC=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O23927.2Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TMS,isomer #7C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3978.6Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,4TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13958.1Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,4TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13911.9Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,4TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13969.3Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,4TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)/C=C/C1=CC=CC=C1)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O23959.6Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,5TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13931.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C14482.9Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O)=C1O4504.8Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)C=C1O4474.7Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)/C=C/C1=CC=CC=C1)[C@@H](C1=CC(O)=C(O)C(O)=C1)O24463.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14507.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14569.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14576.9Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TBDMS,isomer #4CC(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)/C=C/C2=CC=CC=C2)=CC(O)=C1O4542.1Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O4632.7Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C4576.9Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)/C=C/C1=CC=CC=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O24548.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14624.3Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14669.0Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14693.3Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14641.0Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TBDMS,isomer #5CC(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)/C=C/C2=CC=CC=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O4685.9Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)/C=C/C1=CC=CC=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)O24628.0Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)/C=C/C2=CC=CC=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4672.8Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14823.2Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C3=CC(O)=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)=C14783.4Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](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)OC2=C14772.5Semi standard non polar33892256
(-)-Epigallocatechin 3-cinnamate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)/C=C/C1=CC=CC=C1)[C@@H](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)O24758.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epigallocatechin 3-cinnamate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0udr-0930000000-9da718ce19fa91908b052017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epigallocatechin 3-cinnamate GC-MS (3 TMS) - 70eV, Positivesplash10-001i-1900021000-34ff3208a73da7e098592017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epigallocatechin 3-cinnamate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-Epigallocatechin 3-cinnamate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 10V, Positive-QTOFsplash10-000i-0911300000-4a4766cd5808304474972016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 20V, Positive-QTOFsplash10-05a9-0911000000-e7e1f0cc332f64525e3f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 40V, Positive-QTOFsplash10-0079-2900000000-3bb436d3693de59978782016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 10V, Negative-QTOFsplash10-000i-0404900000-9ad7afabf4353db7a9462016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 20V, Negative-QTOFsplash10-054t-1934200000-5028f06602c253be48ab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 40V, Negative-QTOFsplash10-004i-0900000000-c9da52ca64335525165d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 10V, Positive-QTOFsplash10-000i-0301900000-e2350b74601510f866962021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 20V, Positive-QTOFsplash10-0f79-0921200000-342a878854e0816d72722021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 40V, Positive-QTOFsplash10-0udi-0911000000-6493bb28da78c61c6aad2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 10V, Negative-QTOFsplash10-000i-0002900000-4c63e24e45e1f6cd31b02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 20V, Negative-QTOFsplash10-000i-0932400000-26caae526e7d10ddcfff2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3-cinnamate 40V, Negative-QTOFsplash10-0fb9-6944100000-e68ec6da2ae59b7b8c442021-09-23Wishart 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 IDNot Available
FooDB IDFDB018264
KNApSAcK IDC00008904
Chemspider ID10258687
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound21629801
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.. .