Showing metabocard for Thymol (MMDBc0047756)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:41:10 UTC
Update Date2022-09-01 01:47:58 UTC
MiMeDB IDMMDBc0047756
Metabolite Identification
Common NameThymol
DescriptionThymol is a phenol obtained from thyme oil or other volatile oils. It is used as a stabilizer in pharmaceutic preparations. It has been used for its antiseptic, antibacterial, and antifungal actions, and was formerly used as a vermifuge. Thymol is a monoterpene phenol derivative of cymene, C10H13OH, isomeric with carvacrol, found in oil of thyme, and extracted as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. It is also called "hydroxy cymene". In a 1994 report released by five top cigarette companies, thymol is one of the 599 additives to cigarettes. Its use or purpose, however, is unknown, like most cigarette additives.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76d2a42a0>

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3D MOL for #<Metabolite:0x000055b76d2a42a0>

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3D SDF for #<Metabolite:0x000055b76d2a42a0>

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3D-SDF for #<Metabolite:0x000055b76d2a42a0>

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PDB for #<Metabolite:0x000055b76d2a42a0>

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3D PDB for #<Metabolite:0x000055b76d2a42a0>

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SMILES for #<Metabolite:0x000055b76d2a42a0>

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INCHI for #<Metabolite:0x000055b76d2a42a0>

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SynonymsNot Available
Chemical FormulaC10H14O
Average Molecular Weight150.221
Monoisotopic Molecular Weight150.104465071
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChI KeyMGSRCZKZVOBKFT-UHFFFAOYSA-N