EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:9151 - Sinalbin

ChEBI IDCHEBI:9151
ChEBI NameSinalbin
Stars
Last Modified7 March 2024
DownloadsMolfile
FormulaC14H19NO10S2
Net Charge0
Average Mass425.437
Monoisotopic Mass425.04504
SMILESO=S(=O)(O)ON=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)/t9-,11-,12+,13-,14+/m1/s1
InChIKeyWWBNBPSEKLOHJU-LPUQOGTASA-N
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)
Sinalbin (CHEBI:9151) is a glucosinolic acid (CHEBI:79316)
Synonyms  Source
SinalbinKEGG COMPOUND
p-Hydroxybenzyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C08426KEGG COMPOUND
C00001487KNApSAcK
Registry NumbersSources
CAS:20196-67-2KEGG COMPOUND