(-)-5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20O11
Molecular Weight	400.3341
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (-)-5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C(O)=CC(C[C@H]3CCC(=O)O3)=C2)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=VQHXMQYHVVQQFP-OMHCEHRXSA-N

InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7-,12+,13+,14-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H20O11
Molecular Weight	400.3341
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 08:02:26 UTC 2023` Edited by `admin` on `Sat Dec 16 08:02:26 UTC 2023`
Record UNII	5V7UMP8U9N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

Common Name

English

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

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3-DIHYDROXY-5-((TETRAHYDRO-5-OXO-2-FURANYL)METHYL)PHENYL

Common Name

English

5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

Common Name

English

Code System Code Type Description

CAS

1391848-57-9

Created by admin on Sat Dec 16 08:02:27 UTC 2023 , Edited by admin on Sat Dec 16 08:02:27 UTC 2023

PRIMARY

FDA UNII

5V7UMP8U9N

Created by admin on Sat Dec 16 08:02:27 UTC 2023 , Edited by admin on Sat Dec 16 08:02:27 UTC 2023

PRIMARY

PUBCHEM

155928971

Created by admin on Sat Dec 16 08:02:27 UTC 2023 , Edited by admin on Sat Dec 16 08:02:27 UTC 2023

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