DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:17 UTC
Update Date	2025-03-25 00:48:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167688
Frequency	0.5
Structure
Chemical Formula	C₃₆H₃₈FNO₇
Molecular Mass	615.2632
SMILES	CC(C)c1c(C(=O)c2cccc(C(C)C(=O)O)c2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChI Key	CTYYRCGQKSELSY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	aryl-phenylketones
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	aryl fluorides aryl ketones azacyclic compounds benzoyl derivatives beta hydroxy acids and derivatives carboxylic acids dicarboxylic acids and derivatives fluorobenzenes halogenated fatty acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives organic oxides organofluorides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary alcohols substituted pyrroles vinylogous amides
Substituents	aryl fluoride fatty acyl monocyclic benzene moiety carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid benzoyl fatty acid substituted pyrrole carboxylic acid derivative organohalogen compound medium-chain hydroxy acid beta-hydroxy acid fluorobenzene organic oxide 2-phenylpropanoic-acid organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound alcohol halogenated fatty acid vinylogous amide azacycle organofluoride aryl-phenylketone heteroaromatic compound hydroxy acid aryl halide pyrrole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound halobenzene

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