DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:32 UTC
Update Date	2025-03-25 00:59:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236777
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₁ClO₄
Molecular Mass	278.0346
SMILES	COc1cccc(Oc2ccc(Cl)cc2)c1C(=O)O
InChI Key	KKHVFAQCTZEUEO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	diphenylethers
Direct Parent	diphenylethers
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds alkyl aryl ethers anisoles aryl chlorides benzoic acids benzoyl derivatives chlorobenzenes diarylethers hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives o-methoxybenzoic acids and derivatives organic oxides organochlorides phenoxy compounds
Substituents	diaryl ether phenol ether ether carboxylic acid organochloride benzoyl alkyl aryl ether carboxylic acid derivative organohalogen compound organic oxide o-methoxybenzoic acid or derivatives 1-carboxy-2-haloaromatic compound benzoic acid aryl chloride chlorobenzene benzoic acid or derivatives methoxybenzene aryl halide aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound anisole hydrocarbon derivative halobenzene phenoxy compound diphenylether organooxygen compound

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