CHEBI:173523 - 8-Mercapto-p-menthan-3-one

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ChEBI Name 8-Mercapto-p-menthan-3-one
ChEBI ID CHEBI:173523
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H18OS
Net Charge 0
Average Mass 186.310
Monoisotopic Mass 186.10784
InChI InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
InChIKey RVOKNSFEAOYULQ-UHFFFAOYSA-N
SMILES SC(C1CCC(CC1=O)C)(C)C
ChEBI Ontology
Outgoing 8-Mercapto-p-menthan-3-one (CHEBI:173523) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name
5-methyl-2-(2-sulanylpropan-2-yl)cyclohexan-1-one
Manual Xrefs Databases
55833 ChemSpider
HMDB0037385 HMDB
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Registry Number Type Source
33281-91-3 CAS Registry Number ChemIDplus