| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:44 UTC |
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| Update Date | 2025-03-21 18:33:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094938 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | COc1cc(C=CC(=O)O)ccc1N(C)C |
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| InChI Key | AGHICAUFJOEVBD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsaminophenyl ethersaniline and substituted anilinesanisolescarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativecinnamic acid or derivativesorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineaniline or substituted anilinesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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