THEOGALLIN

O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1O)C(O)=O

InChIKey=LDPLFHGGZNSKDS-FTBFGRRBSA-N

InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:40:54 GMT 2025` Edited by `admin` on `Wed Apr 02 08:40:54 GMT 2025`
Record UNII	N8GTS57R32
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

THEOGALLIN

Common Name

English

GALLOTANNIN 20

Preferred Name

English

3-GALLOYLQUINIC ACID

Systematic Name

English

3-O-GALLOYLQUINIC ACID

Systematic Name

English

BENZOIC ACID, 3,4,5-TRIHYDROXY-, (1R,2R,3R,5S)-5-CARBOXY-2,3,5-TRIHYDROXYCYCLOHEXYL ESTER

Systematic Name

English

QUINIC ACID, 3-GALLATE

Common Name

English

3-GALLOYL QUINATE

Systematic Name

English

BENZOIC ACID, 3,4,5-TRIHYDROXY-, 5-CARBOXY-2,3,5-TRIHYDROXYCYCLOHEXYL ESTER, (1R-(1.ALPHA.,2.BETA.,3.BETA.,5.BETA.))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

442988