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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20O10
Molecular Weight	384.3347
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=OTBJYBQGMPICIK-UYQMYPNPSA-N

InChI=1S/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8-,12+,13+,14-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H20O10
Molecular Weight	384.3347
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 08:27:03 UTC 2023` Edited by `admin` on `Sat Dec 16 08:27:03 UTC 2023`
Record UNII	S7BDH68T3E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-HYDROXY-4-(((2R)-TETRAHYDRO-5-OXO-2-FURANYL)METHYL)PHENYL

Common Name

English

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

156028047

Created by admin on Sat Dec 16 08:27:03 UTC 2023 , Edited by admin on Sat Dec 16 08:27:03 UTC 2023

PRIMARY

FDA UNII

S7BDH68T3E

Created by admin on Sat Dec 16 08:27:03 UTC 2023 , Edited by admin on Sat Dec 16 08:27:03 UTC 2023

PRIMARY

CAS

1038922-83-6

Created by admin on Sat Dec 16 08:27:03 UTC 2023 , Edited by admin on Sat Dec 16 08:27:03 UTC 2023

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