DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:55 UTC
Update Date	2025-03-21 18:31:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00088205
Frequency	32.2
Structure
Chemical Formula	C₂₉H₃₄FNO₇
Molecular Mass	527.2319
SMILES	CC(C)c1c(C(=O)O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(O)CC(=O)O
InChI Key	WJCNWGSLDCMJNH-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	1-carboxy-2-haloaromatic compounds aryl fluorides azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds 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 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 1-carboxy-2-haloaromatic compound organoheterocyclic compound alcohol halogenated fatty acid vinylogous amide azacycle organofluoride heteroaromatic compound aryl halide organic oxygen compound pyrrole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound halobenzene pyrrole-3-carboxylic acid organooxygen compound

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