| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:51 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180458 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO4 |
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| Molecular Mass | 239.1158 |
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| SMILES | COc1ccc(C(O)CNCCC(=O)O)cc1 |
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| InChI Key | WRNGUOHQRQTJMY-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolesaromatic alcoholscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidalkyl aryl etherorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminemethoxybenzenebeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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