DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:25 UTC
Update Date	2025-03-25 00:46:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154476
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₀N₂O₄
Molecular Mass	398.2206
SMILES	COc1cc(CC(CO)C(Cc2ccccc2)NC(=O)C2CCCN2)ccc1O
InChI Key	UGHLYCRBNJUFAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lignans, neolignans and related compounds
Class	Not Available
Subclass	lignans, neolignans and related compounds
Direct Parent	lignans, neolignans and related compounds
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha amino acid amides alpha amino acids amphetamines and derivatives anisoles azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylamines hydrocarbon derivatives methoxybenzenes methoxyphenols organic oxides organopnictogen compounds phenoxy compounds primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether aromatic heteromonocyclic compound amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid methoxyphenol norlignan skeleton alpha-amino acid or derivatives alkyl aryl ether carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound amphetamine or derivatives proline or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle secondary amine carboxamide group methoxybenzene secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound anisole phenol hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide phenoxy compound organooxygen compound amine

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