GLUCOSINALBATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H19NO10S2
Molecular Weight	425.431
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](S\C(CC2=CC=C(O)C=C2)=N\OS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=WWBNBPSEKLOHJU-BXLHIMNRSA-N

InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+/t9-,11-,12+,13-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H19NO10S2
Molecular Weight	425.431
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 `Sat Dec 16 09:13:19 GMT 2023` Edited by `admin` on `Sat Dec 16 09:13:19 GMT 2023`
Record UNII	MZ3RB28MCY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GLUCOSINALBATE

Common Name

English

GLUCOSINALBIN

Common Name

English

.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-(4-HYDROXY-N-(SULFOOXY)BENZENEETHANIMIDATE)

Systematic Name

English

GLUCOSINALBIN-

Common Name

English

GLUCOPYRANOSE, 1-THIO-, 1-(2-(P-HYDROXYPHENYL)ACETOHYDROXIMATE) NO-(HYDROGEN SULFATE), .BETA.-D-

Systematic Name

English

((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL) (1E)-2-(4-HYDROXYPHENYL)-N-SULFOOXY-ETHANIMIDOTHIOATE

Systematic Name

English

4-HYDROXYBENZYL GLUCOSINOLATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90430594

Created by admin on Sat Dec 16 09:13:19 GMT 2023 , Edited by admin on Sat Dec 16 09:13:19 GMT 2023

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PUBCHEM

9601115

Created by admin on Sat Dec 16 09:13:19 GMT 2023 , Edited by admin on Sat Dec 16 09:13:19 GMT 2023

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CAS

19253-84-0

Created by admin on Sat Dec 16 09:13:19 GMT 2023 , Edited by admin on Sat Dec 16 09:13:19 GMT 2023

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FDA UNII

MZ3RB28MCY

Created by admin on Sat Dec 16 09:13:19 GMT 2023 , Edited by admin on Sat Dec 16 09:13:19 GMT 2023

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