DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:15 UTC
Update Date	2025-03-25 00:57:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227149
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₃NO₁₁
Molecular Mass	557.2836
SMILES	CC(CCC(=O)NCC(=O)O)C1CCC2C(O)CC3CC(OC4OC(C(=O)O)C(O)C(O)C4O)CCC3(C)C12
InChI Key	DTELKJBWVPWBAF-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	acyl glycines
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	acetals alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives iridoids and derivatives monosaccharides n-acyl amines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monoterpenoid carbonyl group carboxylic acid glucuronic acid or derivatives fatty amide o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid cyclic alcohol carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound 11-noriridane monoterpenoid organooxygen compound

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