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CHEBI:189937 - Glucosinalbin

Default Structure
ChEBI IDCHEBI:189937
ChEBI NameGlucosinalbin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19NO10S2
Net Charge0
Average Mass425.437
Monoisotopic Mass425.04504
SMILESO=S(=O)(O)O/N=C(\Cc1ccc(O)cc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+/t9-,11-,12+,13-,14+/m1/s1
InChIKeyWWBNBPSEKLOHJU-BXLHIMNRSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Glucosinalbin (CHEBI:189937) is a alkylglucosinolate (CHEBI:36445)
IUPAC Name 
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulooxyethanimidothioate
Manual XrefsDatabases
7875243ChemSpider
Registry NumbersSources
CAS:19253-84-0ChemIDplus