U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17NO7
Molecular Weight 311.2873
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZIERIN

SMILES

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

InChI

InChIKey=KCVXNPDAHDGXFD-YOVYLDAJSA-N
InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H17NO7
Molecular Weight 311.2873
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 11:17:59 GMT 2023
Edited
by admin
on Sat Dec 16 11:17:59 GMT 2023
Record UNII
9AS77VIF6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZIERIN
Common Name English
O-.BETA.-D-GLUCOPYRANOSYL-L-M-HYDROXYMANDELONITRILE
Common Name English
BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-, (S)-
Systematic Name English
BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
441473
Created by admin on Sat Dec 16 11:17:59 GMT 2023 , Edited by admin on Sat Dec 16 11:17:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID80214744
Created by admin on Sat Dec 16 11:17:59 GMT 2023 , Edited by admin on Sat Dec 16 11:17:59 GMT 2023
PRIMARY
FDA UNII
9AS77VIF6N
Created by admin on Sat Dec 16 11:17:59 GMT 2023 , Edited by admin on Sat Dec 16 11:17:59 GMT 2023
PRIMARY
CAS
645-02-3
Created by admin on Sat Dec 16 11:17:59 GMT 2023 , Edited by admin on Sat Dec 16 11:17:59 GMT 2023
PRIMARY