| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:03 UTC |
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| Update Date | 2025-03-21 18:38:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122502 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C12H15NO5 |
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| Molecular Mass | 253.095 |
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| SMILES | COc1cccc(CCC(O)=NC(O)C(=O)O)c1 |
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| InChI Key | HPOZLQAYRRHWES-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkanolaminesalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | phenol ethercarboximidic acidmonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidalkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolamineorganic 1,3-dipolar compoundhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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