GLUCOERUCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H23NO9S3
Molecular Weight	421.507
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCCCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS(O)(=O)=O

InChI

InChIKey=GKUMMDFLKGFCKH-KALKGZTMSA-N

InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8+/t7-,9-,10+,11-,12+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

GLUCOERUSIN

Preferred Name

English

GLUCOERUCIN

Common Name

English

4-(METHYLSULFANYL) BUTYL GLUCOSINOLATE

Common Name

English

.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-(5-(METHYLTHIO)-N-(SULFOOXY)PENTANIMIDATE)

Systematic Name

English

GLUCOPYRANOSE, 1-THIO-, 1-(5-(METHYLTHIO)VALEROHYDROXIMATE), NO-(HYDROGEN SULFATE), .BETA.-D-

Systematic Name

English

((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL) 5-METHYLSULFANYL-N-SULFOOXYPENTANIMIDOTHIOATE

Systematic Name

English

4-METHYLTHIOBUTYL GLUCOSINOLATE

Systematic Name

English

Code System Code Type Description

CAS

21973-56-8