DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:56 UTC
Update Date	2025-03-21 18:03:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00045627
Frequency	73.7
Structure
Chemical Formula	C₁₆H₂₄O₃
Molecular Mass	264.1725
SMILES	COc1c(C(C)(C)C)cc(C(=O)O)cc1C(C)(C)C
InChI Key	XLICOLVSHXFUJG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	p-methoxybenzoic acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers anisoles benzoic acids benzoyl derivatives carboxylic acids hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives organic oxides phenoxy compounds phenylpropanes
Substituents	phenol ether ether carboxylic acid benzoyl alkyl aryl ether carboxylic acid derivative methoxybenzene phenylpropane aromatic homomonocyclic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound p-methoxybenzoic acid or derivatives anisole hydrocarbon derivative benzoic acid phenoxy compound organooxygen compound

Showing information for DMID00045627