| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:06 UTC |
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| Update Date | 2025-03-21 18:31:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086336 |
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| Frequency | 33.0 |
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| Structure | |
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| Chemical Formula | C13H19NO3 |
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| Molecular Mass | 237.1365 |
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| SMILES | COc1ccc(C(CC(=O)O)CN(C)C)cc1 |
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| InChI Key | NTTHFPXVRHBQHL-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsamino fatty acidsanisolescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstrialkylamines |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic amineamino fatty acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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