(-)-5-(4'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-4'-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20O9
Molecular Weight	368.3353
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (-)-5-(4'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-4'-GLUCURONIDE

Structure Search

SMILES

[H][C@]3(CC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)CCC(=O)O3

InChI

InChIKey=FTDMUGVYLIJMHW-BOHPSUBWSA-N

InChI=1S/C17H20O9/c18-11-6-5-10(24-11)7-8-1-3-9(4-2-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-4,10,12-15,17,19-21H,5-7H2,(H,22,23)/t10-,12+,13+,14-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H20O9
Molecular Weight	368.3353
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:29:44 GMT 2023` Edited by `admin` on `Sat Dec 16 08:29:44 GMT 2023`
Record UNII	LRU7N24YSW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(-)-5-(4'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-4'-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-(((R)-5-OXOTETRAHYDROFURAN-2-YL)METHYL)PHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

5-(4'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-4'-GLUCURONIDE

Common Name

English

Code System Code Type Description

PUBCHEM

156613741

Created by admin on Sat Dec 16 08:29:45 GMT 2023 , Edited by admin on Sat Dec 16 08:29:45 GMT 2023

PRIMARY

FDA UNII

LRU7N24YSW

Created by admin on Sat Dec 16 08:29:45 GMT 2023 , Edited by admin on Sat Dec 16 08:29:45 GMT 2023

PRIMARY

Related Record Type Details


					W2ZU1RY8B0

GREEN TEA LEAF

PARENT -> METABOLITE

Interaction Type:

IN-VIVO

Qualification:

URINE