DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:37 UTC
Update Date	2025-03-25 00:54:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209592
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉NO₇
Molecular Mass	301.1162
SMILES	CC(O)(CC(O)CCn1c(CO)ccc1C(=O)O)C(=O)O
InChI Key	ZJFUGFOWPOIKHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives amino fatty acids aromatic alcohols azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids methyl-branched fatty acids organic oxides organonitrogen compounds organopnictogen compounds pyrrole 2-carboxylic acids pyrrole carboxylic acids and derivatives secondary alcohols substituted pyrroles tertiary alcohols
Substituents	aromatic alcohol fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid alpha-hydroxy acid fatty acid substituted pyrrole carboxylic acid derivative medium-chain hydroxy acid organic oxide pyrrole-2-carboxylic acid pyrrole-2-carboxylic acid or derivatives organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound alcohol methyl-branched fatty acid azacycle heteroaromatic compound amino fatty acid branched fatty acid tertiary alcohol organic oxygen compound pyrrole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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