Showing metabocard for Isomenthone (MMDBc0047718)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:39:28 UTC
Update Date2022-09-01 01:47:50 UTC
MiMeDB IDMMDBc0047718
Metabolite Identification
Common NameIsomenthone
Descriptionmenthone is also known as trans-menthone. Based on a literature review a significant number of articles have been published on menthone.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007f09201bb298>

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3D MOL for #<Metabolite:0x00007f09201bb298>
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3D SDF for #<Metabolite:0x00007f09201bb298>
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3D-SDF for #<Metabolite:0x00007f09201bb298>
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PDB for #<Metabolite:0x00007f09201bb298>
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3D PDB for #<Metabolite:0x00007f09201bb298>
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SMILES for #<Metabolite:0x00007f09201bb298>
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INCHI for #<Metabolite:0x00007f09201bb298>
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Synonyms
ValueSource
(2R,5S)-Rel-5-methyl-2-(1-methylethyl)cyclohexanoneChEBI
Rel-(1R,4S)-p-menthan-3-oneChEBI
Rel-(2R,5S)-2-isopropyl-5-methylcyclohexanoneChEBI
trans-5-Methyl-2-(1-methylethyl)cyclohexanoneChEBI
trans-Menthan-3-oneChEBI
trans-MenthoneChEBI
trans-p-Menthan-3-oneChEBI
Chemical FormulaC10H18O
Average Molecular Weight154.2493
Monoisotopic Molecular Weight154.135765198
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
InChI KeyNFLGAXVYCFJBMK-UHFFFAOYSA-N