GLUCOBERTEROIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H25NO9S3
Molecular Weight	435.534
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=MEFPHTVXBPLRLX-KHXSHCKASA-N

InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9+/t8-,10-,11+,12-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H25NO9S3
Molecular Weight	435.534
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 19:53:24 GMT 2025` Edited by `admin` on `Mon Mar 31 19:53:24 GMT 2025`
Record UNII	EJ23Z77QY3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL) (1E)-6-METHYLSULFANYL-N-SULFOOXYHEXANIMIDOTHIOATE

Preferred Name

English

GLUCOBERTEROIN

Common Name

English

5-(METHYLSULFANYL) PENTYL GLUCOSINOLATE

Systematic Name

English

.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-(6-(METHYLTHIO)-N-(SULFOOXY)HEXANIMIDATE)

Systematic Name

English

GLUCOPYRANOSE, 1-THIO-, 1-(6-(METHYLTHIO)HEXANOHYDROXIMATE) NO-(HYDROGEN SULFATE), .BETA.-D-

Systematic Name

English

5-(METHYLTHIO)PENTYL GLUCOSINOLATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

9548727