DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:59 UTC
Update Date	2025-03-21 18:38:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119934
Frequency	21.7
Structure
Chemical Formula	C₁₀H₁₀O₅
Molecular Mass	210.0528
SMILES	COc1ccc(O)c(C(=O)CC(=O)O)c1
InChI Key	XNYPCDWJWWVZTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 4-alkoxyphenols alkyl aryl ethers anisoles aryl alkyl ketones benzoyl derivatives beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives organic oxides phenoxy compounds phenylpropanoic acids vinylogous acids
Substituents	beta-hydroxy ketone phenol ether monocyclic benzene moiety ether carboxylic acid aryl alkyl ketone 3-phenylpropanoic-acid benzoyl methoxyphenol 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative beta-keto acid organic oxide 4-alkoxyphenol methoxybenzene aromatic homomonocyclic compound vinylogous acid monocarboxylic acid or derivatives anisole keto acid phenol hydrocarbon derivative benzenoid phenoxy compound alkyl-phenylketone

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