DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:28 UTC
Update Date	2025-03-25 00:50:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179589
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₃NO₅
Molecular Mass	321.1576
SMILES	COc1ccc(COC(=O)C2C(O)CC3CCC2N3C)cc1O
InChI Key	KSSGCAFVCQJQJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	phenols
Subclass	methoxyphenols
Direct Parent	methoxyphenols
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers amino acids and derivatives anisoles azacyclic compounds benzyloxycarbonyls beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters cyclic alcohols and derivatives hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds phenoxy compounds piperidinecarboxylic acids piperidines secondary alcohols trialkylamines tropane alkaloids
Substituents	benzyloxycarbonyl phenol ether monocyclic benzene moiety carbonyl group ether amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether carboxylic acid derivative beta-hydroxy acid organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound piperidinecarboxylic acid piperidine pyrrolidine tertiary amine organoheterocyclic compound alcohol azacycle n-alkylpyrrolidine tertiary aliphatic amine hydroxy acid 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol methoxybenzene monocarboxylic acid or derivatives organic oxygen compound anisole carboxylic acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound phenoxy compound tropane alkaloid amine organooxygen compound

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