DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:44 UTC
Update Date	2025-03-21 18:04:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00049896
Frequency	66.0
Structure
Chemical Formula	C₂₉H₃₄FNO₆
Molecular Mass	511.237
SMILES	CCOC(=O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)n(CCC(O)CC(O)CC(=O)O)c1C(C)C
InChI Key	HJMNUFDLPWCRJQ-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	aryl fluorides azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fluorobenzenes halogenated fatty acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids organic oxides organofluorides organonitrogen compounds organopnictogen compounds pyrrole carboxylic acids and derivatives secondary alcohols substituted pyrroles vinylogous amides
Substituents	aryl fluoride fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound pyrrole-3-carboxylic acid or derivatives heterocyclic fatty acid fatty acid substituted pyrrole carboxylic acid derivative organohalogen compound medium-chain hydroxy acid beta-hydroxy acid fluorobenzene organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound alcohol halogenated fatty acid vinylogous amide azacycle organofluoride heteroaromatic compound aryl halide organic oxygen compound carboxylic acid ester pyrrole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound

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