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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:13:22 UTC
Update Date2022-03-07 02:55:34 UTC
HMDB IDHMDB0037954
Secondary Accession Numbers
  • HMDB37954
Metabolite Identification
Common Name(+)-Epicatechin
Description(+)-Epicatechin, also known as ent-epicatechin, belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol (+)-Epicatechin is found, on average, in the highest concentration within pears (Pyrus communis) (+)-Epicatechin has also been detected, but not quantified in, several different foods, such as lettuces (Lactuca sativa), green tea, apples (Malus pumila), teas (Camellia sinensis), and common buckwheats (Fagopyrum esculentum). This could make (+)-epicatechin a potential biomarker for the consumption of these foods (+)-Epicatechin 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 significant number of articles have been published on (+)-Epicatechin.
Structure
Data?1563863115
Synonyms
ValueSource
(2S,3S)-3',4',5,7-Tetrahydroxyflavan-3-olChEBI
(2S,3S)-3,3',4',5,7-PentahydroxyflavanChEBI
ent-EpicatechinChEBI
(+)-cis-3,3',4',5,7-PentahydroxyflavanHMDB
(+)-EpicatecholHMDB
(2S,3S)-(+)-EpicatechinHMDB
(2S-cis)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triolHMDB
Catechin CHMDB
D-EpicatechinHMDB
Chemical FormulaC15H14O6
Average Molecular Weight290.2681
Monoisotopic Molecular Weight290.07903818
IUPAC Name(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Traditional Namel-epicatechin
CAS Registry Number35323-91-2
SMILES
O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C=C1
InChI Identifier
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1
InChI KeyPFTAWBLQPZVEMU-ZFWWWQNUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavans
Direct ParentCatechins
Alternative Parents
Substituents
  • Catechin
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Ether
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point235 - 237 °CNot Available
Boiling Point630.40 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility63110 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.490 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.64 g/LALOGPS
logP1.02ALOGPS
logP1.8ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)9ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity74 m³·mol⁻¹ChemAxon
Polarizability28.39 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+169.2831661259
DarkChem[M-H]-164.22631661259
DeepCCS[M+H]+169.7530932474
DeepCCS[M-H]-167.39230932474
DeepCCS[M-2H]-201.29630932474
DeepCCS[M+Na]+176.52430932474
AllCCS[M+H]+168.432859911
AllCCS[M+H-H2O]+164.732859911
AllCCS[M+NH4]+171.832859911
AllCCS[M+Na]+172.832859911
AllCCS[M-H]-167.332859911
AllCCS[M+Na-2H]-166.832859911
AllCCS[M+HCOO]-166.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(+)-EpicatechinO[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C=C14436.3Standard polar33892256
(+)-EpicatechinO[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C=C13029.0Standard non polar33892256
(+)-EpicatechinO[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C=C13065.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(+)-Epicatechin,1TMS,isomer #1C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC=C(O)C(O)=C13049.8Semi standard non polar33892256
(+)-Epicatechin,1TMS,isomer #2C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@H](C1=CC=C(O)C(O)=C1)O23030.9Semi standard non polar33892256
(+)-Epicatechin,1TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O)C(O)=C3)OC2=C13091.6Semi standard non polar33892256
(+)-Epicatechin,1TMS,isomer #4C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)=CC=C1O3082.9Semi standard non polar33892256
(+)-Epicatechin,1TMS,isomer #5C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O3085.4Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #1C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@H](C1=CC=C(O)C(O)=C1)O22981.9Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #10C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C2976.2Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)OC2=C12969.7Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #3C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3009.1Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #4C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)=CC=C1O3012.0Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #5C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C12914.9Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #6C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O2956.2Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #7C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)=CC=C1O2959.4Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C12992.7Semi standard non polar33892256
(+)-Epicatechin,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C12987.2Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C12818.8Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C12852.0Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #2C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O2835.3Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #3C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)=CC=C1O2846.6Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C12802.4Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #5C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C12810.0Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #6C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C2889.8Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #7C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C12879.4Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #8C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C12882.9Semi standard non polar33892256
(+)-Epicatechin,3TMS,isomer #9C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C2856.8Semi standard non polar33892256
(+)-Epicatechin,4TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C12849.5Semi standard non polar33892256
(+)-Epicatechin,4TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C12852.9Semi standard non polar33892256
(+)-Epicatechin,4TMS,isomer #3C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C2821.7Semi standard non polar33892256
(+)-Epicatechin,4TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C12821.4Semi standard non polar33892256
(+)-Epicatechin,4TMS,isomer #5C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C12896.1Semi standard non polar33892256
(+)-Epicatechin,5TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C12897.5Semi standard non polar33892256
(+)-Epicatechin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC=C(O)C(O)=C13359.0Semi standard non polar33892256
(+)-Epicatechin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@H](C1=CC=C(O)C(O)=C1)O23331.0Semi standard non polar33892256
(+)-Epicatechin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O)C(O)=C3)OC2=C13363.2Semi standard non polar33892256
(+)-Epicatechin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)=CC=C1O3374.5Semi standard non polar33892256
(+)-Epicatechin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O3381.8Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=C(O)C(O)=C1)O23518.1Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C3542.1Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)OC2=C13500.6Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O3575.2Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O3559.2Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C13450.5Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #6CC(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]2O)C=C1O3498.3Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)=CC=C1O3472.3Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C13539.2Semi standard non polar33892256
(+)-Epicatechin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C13504.9Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C13546.6Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C13617.1Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #2CC(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]2O[Si](C)(C)C(C)(C)C)C=C1O3600.4Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O3593.4Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C13583.6Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C13584.1Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C3623.8Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[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)=C13659.0Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[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)=C13627.1Semi standard non polar33892256
(+)-Epicatechin,3TBDMS,isomer #9CC(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]2O)C=C1O[Si](C)(C)C(C)(C)C3610.5Semi standard non polar33892256
(+)-Epicatechin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)[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)=C13761.3Semi standard non polar33892256
(+)-Epicatechin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)[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)=C13742.8Semi standard non polar33892256
(+)-Epicatechin,4TBDMS,isomer #3CC(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]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C3723.2Semi standard non polar33892256
(+)-Epicatechin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C13725.7Semi standard non polar33892256
(+)-Epicatechin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[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)=C13782.0Semi standard non polar33892256
(+)-Epicatechin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)[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)=C13906.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (+)-Epicatechin GC-MS (Non-derivatized) - 70eV, Positivesplash10-00di-0940000000-635a87e4fbbe005b1b882017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (+)-Epicatechin GC-MS (5 TMS) - 70eV, Positivesplash10-000i-3130069000-ca0968505fc89dd826402017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (+)-Epicatechin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (+)-Epicatechin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin LC-ESI-QTOF , negative-QTOFsplash10-052r-0980000000-b5cee6aae1e7952a7d9f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin LC-ESI-QTOF , positive-QTOFsplash10-0079-0900000000-9a4ec6a24f97ad3fd9f22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 30V, Positive-QTOFsplash10-00di-0900000000-c152f224fc3c49acdeb52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOFsplash10-007c-0920000000-91de0a80259cfbc0113b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 30V, Positive-QTOFsplash10-00dr-0900000000-437372b0d194754905ce2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 50V, Positive-QTOFsplash10-0g6r-0900000000-5069537b6f392aae0fe12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOFsplash10-0006-0590000000-516859cd7060b2bf898b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 50V, Positive-QTOFsplash10-000i-0910000000-7236013988c20252d8c72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 30V, Positive-QTOFsplash10-0079-0900000000-9afe75272afab175f8892021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 50V, Positive-QTOFsplash10-01bi-2900000000-56fefff3a8f788f1a1ca2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 6V, Positive-QTOFsplash10-0006-0490000000-1b85894a81aba913bda32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOFsplash10-0006-0490000000-80c202adef30df74053b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOFsplash10-000i-0910000000-fd8f0d6d6ee1a117d9942021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 6V, Positive-QTOFsplash10-007c-0920000000-ca2ff9eca6136f481a1d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOFsplash10-0006-0690000000-31f869b582ff052495f72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOFsplash10-0079-0910000000-7c1c4c01e56414dde3182021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 6V, Positive-QTOFsplash10-0006-0590000000-b3372a9dc6a409ae89982021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (+)-Epicatechin 6V, Positive-QTOFsplash10-0079-0900000000-9731a6caadd423aea0a12021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOFsplash10-0006-0590000000-aff1c3cc94786f87cacf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-Epicatechin 20V, Positive-QTOFsplash10-000i-0920000000-5e84c0d9207a0a018ab42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-Epicatechin 40V, Positive-QTOFsplash10-05fr-4900000000-3e525d17e0b05647387a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-Epicatechin 10V, Negative-QTOFsplash10-000i-0290000000-52e8123f5ed55bc479622016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-Epicatechin 20V, Negative-QTOFsplash10-000i-0940000000-cfcd9b4e416f64a269162016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-Epicatechin 40V, Negative-QTOFsplash10-0a6r-2910000000-be77474275eeee51824b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-Epicatechin 10V, Negative-QTOFsplash10-000i-0090000000-f6afeb92914fea4cf8de2021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound ID147
FooDB IDFDB017126
KNApSAcK IDC00000957
Chemspider ID158494
KEGG Compound IDC09728
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound182232
PDB IDNot Available
ChEBI ID76125
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1680961
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.. .