| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:49 UTC |
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| Update Date | 2025-03-25 00:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239658 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N4O4 |
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| Molecular Mass | 332.1485 |
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| SMILES | NCC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CC(=O)O |
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| InChI Key | MXRQNBQVJHBZGU-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesketonesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amideketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroleaspartic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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