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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22O10
Molecular Weight	398.3613
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

COC1=CC(C[C@H]2CCC(=O)O2)=CC=C1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=NGMVEYPQYAIGEI-XLDSZWISSA-N

InChI=1S/C18H22O10/c1-25-11-7-8(6-9-3-5-12(19)26-9)2-4-10(11)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)/t9-,13+,14+,15-,16+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H22O10
Molecular Weight	398.3613
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 `Mon Mar 31 21:51:48 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:48 GMT 2025`
Record UNII	63YB4Q4ZT8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

156596949

Created by admin on Mon Mar 31 21:51:48 GMT 2025 , Edited by admin on Mon Mar 31 21:51:48 GMT 2025

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FDA UNII

63YB4Q4ZT8

Created by admin on Mon Mar 31 21:51:48 GMT 2025 , Edited by admin on Mon Mar 31 21:51:48 GMT 2025

PRIMARY

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