DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:57 UTC
Update Date	2025-03-25 00:49:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176107
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₈N₂O₈
Molecular Mass	412.1846
SMILES	Cc1c(CCC(=O)O)c(CC(=O)O)n(CCCCC(N)C(=O)O)c1CCC(=O)O
InChI Key	PETARHLGBKVFOB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	tetracarboxylic acids and derivatives
Direct Parent	tetracarboxylic acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds substituted pyrroles
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound azacycle heteroaromatic compound tetracarboxylic acid or derivatives alpha-amino acid or derivatives substituted pyrrole organic oxide organic oxygen compound pyrrole organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organoheterocyclic compound organooxygen compound

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