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CHEBI:80987 - Glucolesquerellin

ChEBI IDCHEBI:80987
ChEBI NameGlucolesquerellin
Stars
Last Modified7 March 2024
DownloadsMolfile
FormulaC14H27NO9S3
Net Charge0
Average Mass449.569
Monoisotopic Mass449.08479
SMILESCSCCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1
InChIKeyZAKICGFSIJSCSF-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)
Glucolesquerellin (CHEBI:80987) is a glucosinolic acid (CHEBI:79316)
Synonym  Source
6-Methylthiohexyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C17250KEGG COMPOUND