DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:03 UTC
Update Date	2025-03-25 00:49:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171727
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₄N₂O₂
Molecular Mass	300.1838
SMILES	CCc1nc(CC)n(Cc2ccc(C(C)C(=O)O)cc2)c1C
InChI Key	VAEQTWUQAWAEFR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	phenylpropanoic acids
Subclass	phenylpropanoic acids
Direct Parent	phenylpropanoic acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2,4,5-tetrasubstituted imidazoles aromatic monoterpenoids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives monocyclic monoterpenoids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds
Substituents	monoterpenoid monocyclic benzene moiety carbonyl group monocyclic monoterpenoid carboxylic acid aromatic heteromonocyclic compound p-cymene carboxylic acid derivative 1,2,4,5-tetrasubstituted imidazole organic oxide 2-phenylpropanoic-acid imidazole organonitrogen compound organopnictogen compound tetrasubstituted imidazole organoheterocyclic compound azole n-substituted imidazole azacycle heteroaromatic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound aromatic monoterpenoid

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