DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:02 UTC
Update Date	2025-03-25 00:54:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208209
Frequency	0.5
Structure
Chemical Formula	C₂₉H₃₆FNO₅
Molecular Mass	497.2578
SMILES	CC(C)c1c(C(C)(C)O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChI Key	SEBMIAGAGFAJDD-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	aromatic alcohols aryl fluorides azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fluorobenzenes halogenated fatty acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic oxides organofluorides organonitrogen compounds organopnictogen compounds secondary alcohols substituted pyrroles tertiary alcohols
Substituents	aryl fluoride aromatic alcohol fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 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 azacycle organofluoride heteroaromatic compound aryl halide tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound

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