| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:28 UTC |
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| Update Date | 2025-03-25 00:55:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211655 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18N2O3 |
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| Molecular Mass | 298.1317 |
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| SMILES | CC(=O)NCCC(=O)Oc1ccc(Nc2ccccc2)cc1 |
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| InChI Key | AIFNWZCDLSLJQZ-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 | acetamidescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol estersphenoxy compoundssecondary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupsecondary aminecarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundacetamideorganooxygen compoundamine |
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