| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:34 UTC |
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| Update Date | 2025-03-21 18:03:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044727 |
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| Frequency | 75.6 |
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| Structure | |
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| Chemical Formula | C16H19NO4 |
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| Molecular Mass | 289.1314 |
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| SMILES | CC(NCC(O)COc1cccc2ccccc12)C(=O)O |
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| InChI Key | PTHMORBQUHEXOQ-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganopnictogen compoundsphenol etherssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminearomatic homopolycyclic compoundsecondary aminemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundsecondary alcoholalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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