| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:59 UTC |
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| Update Date | 2025-03-25 00:48:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169267 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO3 |
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| Molecular Mass | 251.1521 |
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| SMILES | CCN(CC)CCOc1ccc(C(=O)OC)cc1 |
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| InChI Key | OCHYTARYRUQPFW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativesbenzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundstrialkylamines |
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| Substituents | phenol etheretheramino acid or derivativesbenzoylbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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