.BETA.-D-GLUCOPYRANOSE, 1-(5-HYDROXY-2-METHYL-1H-INDOLE-3-ACETATE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H19NO9
Molecular Weight	381.3341
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANOSE, 1-(5-HYDROXY-2-METHYL-1H-INDOLE-3-ACETATE)

Structure Search

SMILES

[H][C@@]3(OC(=O)CC1=C(C)NC2=CC=C(O)C=C12)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=POQQRZVRWCLDDO-KSXIZUIISA-N

InChI=1S/C17H19NO9/c1-6-8(9-4-7(19)2-3-10(9)18-6)5-11(20)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h2-4,12-15,17-19,21-23H,5H2,1H3,(H,24,25)/t12-,13-,14+,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H19NO9
Molecular Weight	381.3341
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:30:14 UTC 2023` Edited by `admin` on `Sat Dec 16 13:30:14 UTC 2023`
Record UNII	E2JR7DHX5T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANOSE, 1-(5-HYDROXY-2-METHYL-1H-INDOLE-3-ACETATE)

Systematic Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(5-HYDROXY-2-METHYL-1H-INDOL-3-YL)ACETYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

127811-41-0

Created by admin on Sat Dec 16 13:30:14 UTC 2023 , Edited by admin on Sat Dec 16 13:30:14 UTC 2023

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PUBCHEM

156028075

Created by admin on Sat Dec 16 13:30:14 UTC 2023 , Edited by admin on Sat Dec 16 13:30:14 UTC 2023

PRIMARY

FDA UNII

E2JR7DHX5T

Created by admin on Sat Dec 16 13:30:14 UTC 2023 , Edited by admin on Sat Dec 16 13:30:14 UTC 2023

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Related Record Type Details


					XXE1CET956

INDOMETHACIN

PARENT -> METABOLITE

Amount: