DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:04 UTC
Update Date	2025-03-25 00:53:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199096
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁NO₉
Molecular Mass	323.1216
SMILES	O=C(O)CCCC(NCC1OC(O)C(O)C(O)C1O)C(=O)O
InChI Key	CFLOYLRTGPIAQJ-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes secondary alcohols
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal delta amino acid or derivatives medium-chain fatty acid hydroxy fatty acid oxane organoheterocyclic compound alcohol secondary aliphatic amine secondary amine amino fatty acid oxacycle organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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