CHEBI:168942 - 3-Mercaptoheptyl acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Mercaptoheptyl acetate
ChEBI ID CHEBI:168942
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H18O2S
Net Charge 0
Average Mass 190.300
Monoisotopic Mass 190.10275
InChI InChI=1S/C9H18O2S/c1-3-4-5-9(12)6-7-11-8(2)10/h9,12H,3-7H2,1-2H3
InChIKey JWESHEXXXWDVAQ-UHFFFAOYSA-N
SMILES SC(CCCC)CCOC(=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Mercaptoheptyl acetate (CHEBI:168942) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3-sulanylheptyl acetate
Manual Xrefs Databases
4936217 ChemSpider
HMDB0032372 HMDB
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Registry Number Type Source
548774-80-7 CAS Registry Number ChemIDplus