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CHEBI:136527 - (Z)-indolylmethyl desulfoglucosinolate

ChEBI IDCHEBI:136527
ChEBI Name(Z)-indolylmethyl desulfoglucosinolate
Stars
ASCII Name(Z)-indolylmethyl desulfoglucosinolate
DefinitionAn indolylmethyl desulfoglucosinolate in which the C=N double bond has Z configuration.
Last Modified8 December 2021
SubmitterSteve
DownloadsMolfile
FormulaC16H20N2O6S
Net Charge0
Average Mass368.411
Monoisotopic Mass368.10421
SMILESOC[C@H]1O[C@@H](S/C(Cc2cnc3ccccc23)=N\O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-/t11-,13-,14+,15-,16+/m1/s1
InChIKeyCWNIQCOMWQROPA-PIAXYHQTSA-N
ChEBI Ontology
Outgoing Relation(s)
(Z)-indolylmethyl desulfoglucosinolate (CHEBI:136527) is a indolylmethyl desulfoglucosinolate (CHEBI:80545)
IUPAC Name 
1-1-S-[(1Z)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]-1-thio-β-D-glucopyranose
Synonyms  Source
(Z)-desulfoglucobrassicinChEBI
(Z)-indolylmethyldesulfoglucosinolateChEBI
(Z)-indolylmethyl-desulfoglucosinolateChEBI
UniProt Name  Source
(Z)-indolylmethyl desulfoglucosinolateUniProt
Registry NumbersSources
Reaxys:3568754Reaxys