| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:01 UTC |
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| Update Date | 2025-03-21 18:35:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105489 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C16H18N2O4 |
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| Molecular Mass | 302.1267 |
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| SMILES | O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCO1 |
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| InChI Key | GHGXVCRIHMHUBE-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolessecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidindoledialkyl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidtetrahydrofuranheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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