| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:29 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179622 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO3 |
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| Molecular Mass | 209.1052 |
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| SMILES | COc1ccc(N)c(CC(C)C(=O)O)c1 |
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| InChI Key | FNKLZIKSRLHRMC-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 acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylpropanesprimary amines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativephenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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