GLUCONASTURTIIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H21NO9S2
Molecular Weight	423.459
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@@H](SC(CCC2=CC=CC=C2)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=CKIJIGYDFNXSET-LFHLZQBKSA-N

InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H21NO9S2
Molecular Weight	423.459
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:59:47 GMT 2025` Edited by `admin` on `Mon Mar 31 19:59:47 GMT 2025`
Record UNII	163ENC977A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GLUCONASTURTIIN

Common Name

English

PHENETHYLGLUCOSINOLATE

Preferred Name

English

((3-PHENYL-1-(((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6- (HYDROXYMETHYL)-2-TETRAHYDROPYRANYL)THIO)PROPYLIDENE)AMINO) HYDROGEN SULFATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

656555