SAMBUNIGRIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H17NO6
Molecular Weight	295.2879
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SAMBUNIGRIN

Structure Search

SMILES

OC[C@H]1O[C@@H](O[C@H](C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=ZKSZEJFBGODIJW-YOVYLDAJSA-N

InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H17NO6
Molecular Weight	295.2879
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:32:07 GMT 2023` Edited by `admin` on `Sat Dec 16 08:32:07 GMT 2023`
Record UNII	9UZJ2ZO1HS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SAMBUNIGRIN

Common Name

English

MANDELONITRILE GLUCOSIDE L-FORM

Common Name

English

L-PRUNASIN

Common Name

English

(2S)-SAMBUNIGRIN

Common Name

English

(S)-PRUNASIN

Common Name

English

BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-, (.ALPHA.S)-

Systematic Name

English

MANDELONITRILE GLUCOSIDE L-FORM [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00912912

Created by admin on Sat Dec 16 08:32:07 GMT 2023 , Edited by admin on Sat Dec 16 08:32:07 GMT 2023

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PUBCHEM

91434

Created by admin on Sat Dec 16 08:32:07 GMT 2023 , Edited by admin on Sat Dec 16 08:32:07 GMT 2023

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CAS

99-19-4

Created by admin on Sat Dec 16 08:32:07 GMT 2023 , Edited by admin on Sat Dec 16 08:32:07 GMT 2023

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MERCK INDEX

m7054

Created by admin on Sat Dec 16 08:32:07 GMT 2023 , Edited by admin on Sat Dec 16 08:32:07 GMT 2023

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Merck Index

FDA UNII

9UZJ2ZO1HS

Created by admin on Sat Dec 16 08:32:07 GMT 2023 , Edited by admin on Sat Dec 16 08:32:07 GMT 2023

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CHEBI

27761

Created by admin on Sat Dec 16 08:32:07 GMT 2023 , Edited by admin on Sat Dec 16 08:32:07 GMT 2023

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