DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:05 UTC
Update Date	2025-03-25 00:50:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02183241
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₅NO₄
Molecular Mass	285.1001
SMILES	O=C(O)c1ccccc1NCC1COc2ccccc2O1
InChI Key	SDANROFLMWTKBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	benzodioxanes
Subclass	benzo-1,4-dioxanes
Direct Parent	benzo-1,4-dioxanes
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds alkyl aryl ethers amino acids benzoic acids benzoyl derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds para dioxins phenylalkylamines secondary alkylarylamines vinylogous amides
Substituents	monocyclic benzene moiety ether carboxylic acid amino acid or derivatives amino acid benzoyl alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid benzo-1,4-dioxane vinylogous amide benzoic acid or derivatives secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound para-dioxin phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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