CHEBI:80982 - p-Hydroxybenzyldesulphoglucosinolate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name p-Hydroxybenzyldesulphoglucosinolate ChEBI ID CHEBI:80982 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H19NO7S Net Charge 0 Average Mass 345.36800 Monoisotopic Mass 345.08822 InChI InChI=1S/C14H19NO7S/c16-6-9-11(18)12(19)13(20)14(22-9)23-10(15-21)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-21H,5-6H2/b15-10-/t9-,11-,12+,13-,14+/m1/s1 InChIKey SOUNOQPUSGGIJJ-RFEZBLSLSA-N SMILES OC[C@H]1O[C@@H](S\C(Cc2ccc(O)cc2)=N/O)[C@H](O)[C@@H](O)[C@@H]1O ChEBI Ontology Outgoing p-Hydroxybenzyldesulphoglucosinolate (CHEBI:80982) is a S-glycosyl compound (CHEBI:35275) Synonym Source Desulfo-p-hydroxybenzylglucosinolate KEGG COMPOUND Manual Xref Database C17240 KEGG COMPOUND View more database links