MiMeDB: Showing metabocard for Epigallocatechin (MMDBc0033631)

Plant

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:56:40 UTC

Update Date

2024-10-11 00:02:21 UTC

Metabolite ID

MMDBc0033631

Metabolite Identification

Common Name

Epigallocatechin

Description

Epigallocatechin is a flavanol, a type of polyphenol. Polyphenol are secondary plant metabolites and component of grapes and wines that contribute to the sensory characteristics of wine. Yeast can influence the polyphenolic wine composition by adsorbing them throught its cell wall during wine making. [Caridi 2004]

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₅H₁₄O₇

Average Mass

306.2675

Monoisotopic Mass

306.073952802

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

970-74-1

SMILES

Not Available

InChI Identifier

InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1

InChI Key

XMOCLSLCDHWDHP-IUODEOHRSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (retained)	2025-10-24	15.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	29.8
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	391.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	547.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	466.8
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	260.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	1417.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	151.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	592.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	190.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	288.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	142.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	80.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-24	376.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	674.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	64.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	294.6
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1440.1
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	784.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Epigallocatechin_TMS_1	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1	standard non polar	2025-10-24	1385.98
Gas Chromatography	Epigallocatechin_TMS_2	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1)O2	standard non polar	2025-10-24	1794.86
Gas Chromatography	Epigallocatechin_TMS_3	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	standard non polar	2025-10-24	2586.86
Gas Chromatography	Epigallocatechin_TMS_4	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC(O)=C1O	standard non polar	2025-10-24	2137.03
Gas Chromatography	Epigallocatechin_TMS_5	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O	standard non polar	2025-10-24	1427.56
Gas Chromatography	Epigallocatechin_TMS_6	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1)O2	standard non polar	2025-10-24	2044.76
Gas Chromatography	Epigallocatechin_TMS_7	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	standard non polar	2025-10-24	2630.24
Gas Chromatography	Epigallocatechin_TMS_8	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC(O)=C1O	standard non polar	2025-10-24	1695.46
Gas Chromatography	Epigallocatechin_TMS_9	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	standard non polar	2025-10-24	2117.12
Gas Chromatography	Epigallocatechin_TMS_10	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	standard non polar	2025-10-24	2092.1
Gas Chromatography	Epigallocatechin_TMS_11	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC(O)=C1O	standard non polar	2025-10-24	1599.25
Gas Chromatography	Epigallocatechin_TMS_12	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	standard non polar	2025-10-24	2116.78
Gas Chromatography	Epigallocatechin_TMS_13	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	standard non polar	2025-10-24	1942.96
Gas Chromatography	Epigallocatechin_TMS_14	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	standard non polar	2025-10-24	2289.54
Gas Chromatography	Epigallocatechin_TMS_15	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2168.95
Gas Chromatography	Epigallocatechin_TMS_16	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1068.1
Gas Chromatography	Epigallocatechin_TMS_17	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1867.68
Gas Chromatography	Epigallocatechin_TMS_18	C[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(O)=C1O	standard non polar	2025-10-24	2287.18
Gas Chromatography	Epigallocatechin_TMS_19	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	standard non polar	2025-10-24	2411.49
Gas Chromatography	Epigallocatechin_TMS_20	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	standard non polar	2025-10-24	1351.6
Gas Chromatography	Epigallocatechin_TMS_21	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	standard non polar	2025-10-24	1601.84
Gas Chromatography	Epigallocatechin_TMS_22	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2374.8
Gas Chromatography	Epigallocatechin_TMS_23	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1701.51
Gas Chromatography	Epigallocatechin_TMS_24	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1898.37
Gas Chromatography	Epigallocatechin_TMS_25	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1878.49
Gas Chromatography	Epigallocatechin_TMS_26	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2554.68
Gas Chromatography	Epigallocatechin_TMS_27	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	2102.27
Gas Chromatography	Epigallocatechin_TMS_28	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	standard non polar	2025-10-24	1664.3
Gas Chromatography	Epigallocatechin_TMS_29	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	standard non polar	2025-10-24	1833.15
Gas Chromatography	Epigallocatechin_TMS_30	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2536.13
Gas Chromatography	Epigallocatechin_TMS_31	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1453.49
Gas Chromatography	Epigallocatechin_TMS_32	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1993.38
Gas Chromatography	Epigallocatechin_TMS_33	C[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(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1884.81
Gas Chromatography	Epigallocatechin_TMS_34	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	2137.32
Gas Chromatography	Epigallocatechin_TMS_35	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	standard non polar	2025-10-24	1097.29
Gas Chromatography	Epigallocatechin_TMS_36	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	standard non polar	2025-10-24	1893.38
Gas Chromatography	Epigallocatechin_TMS_37	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1481.77
Gas Chromatography	Epigallocatechin_TMS_38	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[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)=C1	standard non polar	2025-10-24	2087.14
Gas Chromatography	Epigallocatechin_TMS_39	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[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)=C1	standard non polar	2025-10-24	1658.2
Gas Chromatography	Epigallocatechin_TMS_40	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	918.891
Gas Chromatography	Epigallocatechin_TMS_41	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	standard non polar	2025-10-24	2359.34
Gas Chromatography	Epigallocatechin_TMS_42	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[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)=C1	standard non polar	2025-10-24	2534.0
Gas Chromatography	Epigallocatechin_TMS_43	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[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)=C1	standard non polar	2025-10-24	1781.6
Gas Chromatography	Epigallocatechin_TMS_44	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	684.971
Gas Chromatography	Epigallocatechin_TMS_45	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	standard non polar	2025-10-24	2468.26
Gas Chromatography	Epigallocatechin_TMS_46	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[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)=C1	standard non polar	2025-10-24	881.421
Gas Chromatography	Epigallocatechin_TMS_47	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[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)=C1	standard non polar	2025-10-24	2514.86
Gas Chromatography	Epigallocatechin_TMS_1	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1	standard polar	2025-10-24	2086.31
Gas Chromatography	Epigallocatechin_TMS_2	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1)O2	standard polar	2025-10-24	2634.39
Gas Chromatography	Epigallocatechin_TMS_3	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	standard polar	2025-10-24	1887.59
Gas Chromatography	Epigallocatechin_TMS_4	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC(O)=C1O	standard polar	2025-10-24	1114.16
Gas Chromatography	Epigallocatechin_TMS_5	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O	standard polar	2025-10-24	2105.26
Gas Chromatography	Epigallocatechin_TMS_6	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1)O2	standard polar	2025-10-24	2401.67
Gas Chromatography	Epigallocatechin_TMS_7	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	standard polar	2025-10-24	2357.65
Gas Chromatography	Epigallocatechin_TMS_8	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC(O)=C1O	standard polar	2025-10-24	2313.14
Gas Chromatography	Epigallocatechin_TMS_9	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	standard polar	2025-10-24	2695.6
Gas Chromatography	Epigallocatechin_TMS_10	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	standard polar	2025-10-24	1293.49
Gas Chromatography	Epigallocatechin_TMS_11	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC(O)=C1O	standard polar	2025-10-24	1729.19
Gas Chromatography	Epigallocatechin_TMS_12	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	standard polar	2025-10-24	2163.11
Gas Chromatography	Epigallocatechin_TMS_13	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	standard polar	2025-10-24	2209.09
Gas Chromatography	Epigallocatechin_TMS_14	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	standard polar	2025-10-24	1438.13
Gas Chromatography	Epigallocatechin_TMS_15	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2841.73
Gas Chromatography	Epigallocatechin_TMS_16	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2175.87
Gas Chromatography	Epigallocatechin_TMS_17	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	standard polar	2025-10-24	1509.06
Gas Chromatography	Epigallocatechin_TMS_18	C[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(O)=C1O	standard polar	2025-10-24	1738.09
Gas Chromatography	Epigallocatechin_TMS_19	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	standard polar	2025-10-24	1377.14
Gas Chromatography	Epigallocatechin_TMS_20	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	standard polar	2025-10-24	1495.46
Gas Chromatography	Epigallocatechin_TMS_21	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	standard polar	2025-10-24	1724.65
Gas Chromatography	Epigallocatechin_TMS_22	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	3023.94
Gas Chromatography	Epigallocatechin_TMS_23	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2316.11
Gas Chromatography	Epigallocatechin_TMS_24	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	standard polar	2025-10-24	1918.3
Gas Chromatography	Epigallocatechin_TMS_25	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	standard polar	2025-10-24	1696.82
Gas Chromatography	Epigallocatechin_TMS_26	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	3251.68
Gas Chromatography	Epigallocatechin_TMS_27	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	2359.0
Gas Chromatography	Epigallocatechin_TMS_28	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	standard polar	2025-10-24	1865.63
Gas Chromatography	Epigallocatechin_TMS_29	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	standard polar	2025-10-24	2669.28
Gas Chromatography	Epigallocatechin_TMS_30	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2083.88
Gas Chromatography	Epigallocatechin_TMS_31	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	standard polar	2025-10-24	2391.45
Gas Chromatography	Epigallocatechin_TMS_32	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	standard polar	2025-10-24	2129.07
Gas Chromatography	Epigallocatechin_TMS_33	C[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(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2585.93
Gas Chromatography	Epigallocatechin_TMS_34	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	1232.09
Gas Chromatography	Epigallocatechin_TMS_35	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	standard polar	2025-10-24	1555.21
Gas Chromatography	Epigallocatechin_TMS_36	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	standard polar	2025-10-24	2885.36
Gas Chromatography	Epigallocatechin_TMS_37	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	310.511
Gas Chromatography	Epigallocatechin_TMS_38	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[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)=C1	standard polar	2025-10-24	2473.68
Gas Chromatography	Epigallocatechin_TMS_39	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[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)=C1	standard polar	2025-10-24	1325.51
Gas Chromatography	Epigallocatechin_TMS_40	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	2189.53
Gas Chromatography	Epigallocatechin_TMS_41	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	standard polar	2025-10-24	3285.65
Gas Chromatography	Epigallocatechin_TMS_42	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[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)=C1	standard polar	2025-10-24	1821.07
Gas Chromatography	Epigallocatechin_TMS_43	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[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)=C1	standard polar	2025-10-24	2126.24
Gas Chromatography	Epigallocatechin_TMS_44	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	2674.08
Gas Chromatography	Epigallocatechin_TMS_45	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	standard polar	2025-10-24	3032.36
Gas Chromatography	Epigallocatechin_TMS_46	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[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)=C1	standard polar	2025-10-24	1995.63
Gas Chromatography	Epigallocatechin_TMS_47	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[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)=C1	standard polar	2025-10-24	3357.8

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Food Exposures

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Lin SC, Wang CP, Chen YM, Lu SY, Fann MJ, Liu CJ, Kao SY, Chang KW: Regulation of IGFBP-5 expression during tumourigenesis and differentiation of oral keratinocytes. J Pathol. 2002 Nov;198(3):317-25. doi: 10.1002/path.1220. [PubMed:12375264 ]
Cooper R, Morre DJ, Morre DM: Medicinal benefits of green tea: part II. review of anticancer properties. J Altern Complement Med. 2005 Aug;11(4):639-52. doi: 10.1089/acm.2005.11.639. [PubMed:16131288 ]
Davies SL, Bozzo J: Spotlight on tNOX: a tumor-selective target for cancer therapies. Drug News Perspect. 2006 May;19(4):223-5. doi: 10.1358/dnp.2006.19.4.1007077. [PubMed:16823496 ]
Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..

Showing metabocard for Epigallocatechin (MMDBc0033631)

MOL for #<Metabolite:0x00007f9ac9cd2240>

3D MOL for #<Metabolite:0x00007f9ac9cd2240>

3D SDF for #<Metabolite:0x00007f9ac9cd2240>

3D-SDF for #<Metabolite:0x00007f9ac9cd2240>

PDB for #<Metabolite:0x00007f9ac9cd2240>

3D PDB for #<Metabolite:0x00007f9ac9cd2240>

SMILES for #<Metabolite:0x00007f9ac9cd2240>

INCHI for #<Metabolite:0x00007f9ac9cd2240>

Structure for #<Metabolite:0x00007f9ac9cd2240>

3D Structure for #<Metabolite:0x00007f9ac9cd2240>