DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:34 UTC
Update Date	2025-03-25 00:54:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207091
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₆N₂O₁₄
Molecular Mass	566.1384
SMILES	O=C(O)C1=CC(=CC=NC(Cc2ccc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)C(=O)O)CC(C(=O)O)N1
InChI Key	OUZVVOGMFXFHIR-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetals aldimines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds pyran carboxylic acids secondary alcohols tetracarboxylic acids and derivatives tetrahydropyridines
Substituents	phenol ether monocyclic benzene moiety carboxylic acid o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal organonitrogen compound alpha-amino acid oxane organoheterocyclic compound alcohol secondary aliphatic amine tyrosine or derivatives azacycle tetrahydropyridine organic 1,3-dipolar compound phenol hydrocarbon derivative phenoxy compound amine carbonyl group glucuronic acid or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid imine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound aldimine organic oxide organopnictogen compound amphetamine or derivatives pyran carboxylic acid or derivatives tetracarboxylic acid or derivatives hydroxy acid secondary amine oxacycle phenylalanine or derivatives organic oxygen compound pyran secondary alcohol benzenoid organic nitrogen compound organooxygen compound

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