CHEBI:80989 - 8-Methylthiooctyl glucosinolate

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ChEBI Name 8-Methylthiooctyl glucosinolate
ChEBI ID CHEBI:80989
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H31NO9S3
Net Charge 0
Average Mass 477.61400
Monoisotopic Mass 477.11610
InChI InChI=1S/C16H31NO9S3/c1-27-9-7-5-3-2-4-6-8-12(17-26-29(22,23)24)28-16-15(21)14(20)13(19)11(10-18)25-16/h11,13-16,18-21H,2-10H2,1H3,(H,22,23,24)/t11-,13-,14+,15-,16+/m1/s1
InChIKey CWOJBEDMJKZKAB-JZYAIQKZSA-N
SMILES CSCCCCCCCCC(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 8-Methylthiooctyl glucosinolate (CHEBI:80989) is a glucosinolate (CHEBI:24279)
Manual Xref Database
C17254 KEGG COMPOUND
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