epigallocatechin-3'-glucuronide (Q27254454)

UNII-2A0M9HOF8Z (English)

14 October 2016

chemical formula

C₂₁H₂₂O₁₃

1 reference

UNII-2A0M9HOF8Z (English)

14 October 2016

canonical SMILES

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O

1 reference

UNII-2A0M9HOF8Z (English)

14 October 2016

isomeric SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O

1 reference

UNII-2A0M9HOF8Z (English)

InChI=1S/C21H22O13/c22-7-3-9(23)8-5-11(25)18(32-12(8)4-7)6-1-10(24)14(26)13(2-6)33-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-4,11,15-19,21-29H,5H2,(H,30,31)/t11-,15+,16+,17-,18-,19+,21-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-2A0M9HOF8Z (English)

CQDATFYRGVZXLF-ZVHNUXTDSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-2A0M9HOF8Z (English)

14 October 2016

1 reference

UNII

2A0M9HOF8Z

epigallocatechin-3'-glucuronide (English)

14 October 2016

1 reference

2,3-Dihydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl beta-D-glucopyranosiduronic acid (English)

14 October 2016

1 reference

UNII-2A0M9HOF8Z (English)

Human Metabolome Database ID

14 October 2016

ChEBI ID

168245

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

1 reference

HMDB0041638

1 reference

based on heuristic

inferred from InChIKey

UNII

2A0M9HOF8Z

1 reference

stated in

Global Substance Registration System

UNII

2A0M9HOF8Z

epigallocatechin-3'-glucuronide (English)