CHEBI:80987 - Glucolesquerellin

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ChEBI Name Glucolesquerellin
ChEBI ID CHEBI:80987
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H27NO9S3
Net Charge 0
Average Mass 449.56000
Monoisotopic Mass 449.08479
InChI InChI=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
InChIKey ZAKICGFSIJSCSF-LPUQOGTASA-N
SMILES CSCCCCCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS(O)(=O)=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via glucosinolate )
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ChEBI Ontology
Outgoing Glucolesquerellin (CHEBI:80987) is a glucosinolate (CHEBI:24279)
Synonym Source
6-Methylthiohexyl glucosinolate KEGG COMPOUND
Manual Xref Database
C17250 KEGG COMPOUND
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