| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:29 UTC |
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| Update Date | 2025-03-25 00:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17N3O4 |
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| Molecular Mass | 303.1219 |
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| SMILES | NC(Cc1c[nH]c2ccc(O)cc12)C(=O)N1CCC1C(=O)O |
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| InChI Key | MSYVGOFFKNRYGW-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsazacyclic compoundsazetidinecarboxylic acidsazetidinesbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidazetidinecarboxylic acidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupazetidinealpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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