DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:18 UTC
Update Date	2025-03-25 00:48:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167732
Frequency	0.5
Structure
Chemical Formula	C₃₃H₃₆FNO₅
Molecular Mass	545.2578
SMILES	CC(C)c1c(COc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChI Key	BKADMTIPTVQDJU-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	alkyl aryl ethers 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 phenol ethers phenoxy compounds secondary alcohols substituted pyrroles
Substituents	aryl fluoride fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid fatty acid substituted pyrrole alkyl aryl ether 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 monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound halobenzene phenoxy compound organooxygen compound

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