CHEBI:80988 - 7-Methylthioheptyl glucosinolate

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ChEBI Name 7-Methylthioheptyl glucosinolate
ChEBI ID CHEBI:80988
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H29NO9S3
Net Charge 0
Average Mass 463.58700
Monoisotopic Mass 463.10045
InChI InChI=1S/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1
InChIKey SJHVRBSHKTUXLG-LFHLZQBKSA-N
SMILES CSCCCCCCCC(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 7-Methylthioheptyl glucosinolate (CHEBI:80988) is a glucosinolate (CHEBI:24279)
Manual Xref Database
C17252 KEGG COMPOUND
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