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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)

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

Approval Year

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 GMT 2023 , Edited by admin on Sat Dec 16 13:30:14 GMT 2023
PRIMARY
PUBCHEM
156028075
Created by admin on Sat Dec 16 13:30:14 GMT 2023 , Edited by admin on Sat Dec 16 13:30:14 GMT 2023
PRIMARY
FDA UNII
E2JR7DHX5T
Created by admin on Sat Dec 16 13:30:14 GMT 2023 , Edited by admin on Sat Dec 16 13:30:14 GMT 2023
PRIMARY