| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:59 UTC |
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| Update Date | 2025-03-21 18:02:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040860 |
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| Frequency | 84.3 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | COC(=O)c1ccccc1C(=O)OCCN(C)C |
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| InChI Key | PUTDZXSQFYIEOP-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 | amino acids and derivativesbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | amino acid or derivativestertiary aliphatic aminebenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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