Hesperetin 7-O-β-D-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22O12
Molecular Weight	478.4029
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Hesperetin 7-O-β-D-glucuronide

Structure Search

SMILES

COC1=C(O)C=C(C=C1)[C@@H]2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3O2

InChI

InChIKey=NEAWXAXVQDDFJL-QBUJOIIVSA-N

InChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t14-,17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H22O12
Molecular Weight	478.4029
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 15:33:03 GMT 2023` Edited by `admin` on `Sat Dec 16 15:33:03 GMT 2023`
Record UNII	SMJ6W6AQ49
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Hesperetin 7-O-β-D-glucuronide

Common Name

English

7-O-Glucuronylhesperitin

Common Name

English

(2R,3S,4R,5S,6R)-6-(((2R)-2-(4-METHOXY-3-OXIDANYL-PHENYL)-5-OXIDANYL-4-OXIDANYLIDENE-2,3-DIHYDROCHROMEN-7-YL)OXY)-3,4,5-TRIS(OXIDANYL)OXANE-2-CARBOXYLIC ACID

Systematic Name

English

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid

Systematic Name

English

β-D-Glucopyranosiduronic acid, (2S)-3,4-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-1-benzopyran-7-yl

Systematic Name

English

Hesperetin-7-O-glucuronide

Common Name

English

(2S)-3,4-Dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

56598869

Created by admin on Sat Dec 16 15:33:03 GMT 2023 , Edited by admin on Sat Dec 16 15:33:03 GMT 2023

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FDA UNII

SMJ6W6AQ49

Created by admin on Sat Dec 16 15:33:03 GMT 2023 , Edited by admin on Sat Dec 16 15:33:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID90717791

Created by admin on Sat Dec 16 15:33:03 GMT 2023 , Edited by admin on Sat Dec 16 15:33:03 GMT 2023

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CAS

67322-08-1

Created by admin on Sat Dec 16 15:33:03 GMT 2023 , Edited by admin on Sat Dec 16 15:33:03 GMT 2023

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