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CHEBI:15911 - desulfoglucotropeolin

ChEBI IDCHEBI:15911
ChEBI Namedesulfoglucotropeolin
Stars
DefinitionA desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy(phenyl)ethanethioamide with β-D-glucopyranose.
Secondary ChEBI IDsCHEBI:4455, CHEBI:14131, CHEBI:23647
Last Modified7 March 2017
DownloadsMolfile
FormulaC14H19NO6S
Net Charge0
Average Mass329.374
Monoisotopic Mass329.09331
SMILESOC[C@H]1O[C@@H](SC(Cc2ccccc2)=NO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H19NO6S/c16-7-9-11(17)12(18)13(19)14(21-9)22-10(15-20)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-20H,6-7H2/t9-,11-,12+,13-,14+/m1/s1
InChIKeyQXWFHEDNDCNERW-LPUQOGTASA-N
ChEBI Ontology
Outgoing Relation(s)
desulfoglucotropeolin (CHEBI:15911) is a desulfoglucosinolic acid (CHEBI:136442)
Incoming Relation(s)
glucotropeolin (CHEBI:17127) has functional parent desulfoglucotropeolin (CHEBI:15911)
(Z)-desulfoglucotropeolin (CHEBI:136422) is a desulfoglucotropeolin (CHEBI:15911)
IUPAC Name 
1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-β-D-glucopyranose
Synonym  Source
DesulfoglucotropeolinKEGG COMPOUND
UniProt Name  Source
desulfoglucotropeolinUniProt
Manual XrefsDatabases
C01069KEGG COMPOUND
C01069KEGG COMPOUND
Registry NumbersSources
Reaxys:39056Reaxys