DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:28 UTC
Update Date	2025-03-25 00:47:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163483
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₅N₃O₈
Molecular Mass	435.1642
SMILES	O=C(O)C(Cc1ccccc1)NC(Cc1cn(C2OC(CO)C(O)C2O)cn1)C(=O)O
InChI Key	QVUNUUNWHQPCGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazole ribonucleosides and ribonucleotides imidazoles monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds phenylpropanoic acids primary alcohols secondary alcohols tetrahydrofurans
Substituents	imidazole ribonucleoside monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid monosaccharide saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound amphetamine or derivatives azole n-substituted imidazole alcohol secondary aliphatic amine azacycle tetrahydrofuran heteroaromatic compound secondary amine oxacycle phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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