(-)-5-(3'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-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-(3'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

Structure Search

SMILES

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

InChI

InChIKey=DPSUQBKEHXAIDY-BOHPSUBWSA-N

InChI=1S/C17H20O9/c18-11-5-4-10(24-11)7-8-2-1-3-9(6-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-3,6,10,12-15,17,19-21H,4-5,7H2,(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 08:14:33 GMT 2023` Edited by `admin` on `Sat Dec 16 08:14:33 GMT 2023`
Record UNII	GL7LQ483RP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-5-(3'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

Common Name

English

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

Systematic Name

English

5-(3'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

Common Name

English

5-(3-HYDROXYPHENYL)-VALEROLACTONE GLUCURONIDE

Common Name

English

Code System Code Type Description

PUBCHEM

140285616

Created by admin on Sat Dec 16 08:14:33 GMT 2023 , Edited by admin on Sat Dec 16 08:14:33 GMT 2023

PRIMARY

FDA UNII

GL7LQ483RP

Created by admin on Sat Dec 16 08:14:33 GMT 2023 , Edited by admin on Sat Dec 16 08:14:33 GMT 2023

PRIMARY

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