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CHEBI:169682 - (S1)-Methoxy-3-heptanethiol

Default Structure
ChEBI IDCHEBI:169682
ChEBI Name(S1)-Methoxy-3-heptanethiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H18OS
Net Charge0
Average Mass162.298
Monoisotopic Mass162.10784
SMILESCCCC[C@H](S)CCOC
InChIInChI=1S/C8H18OS/c1-3-4-5-8(10)6-7-9-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyHRYCNFLXCKVTER-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(S1)-Methoxy-3-heptanethiol (CHEBI:169682) is a ether (CHEBI:25698)
IUPAC Name 
(3S)-1-methoxyheptane-3-thiol
Manual XrefsDatabases
21105935ChemSpider
HMDB0032380HMDB
Registry NumbersSources
CAS:400052-49-5ChemIDplus