| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:00 UTC |
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| Update Date | 2025-03-21 18:01:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031339 |
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| Frequency | 117.6 |
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| Structure | |
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| Chemical Formula | C16H19N3O6 |
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| Molecular Mass | 349.1274 |
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| SMILES | NC(Cc1c[nH]c2ccc(O)cc12)C(=O)NC(CCC(=O)O)C(=O)O |
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| InChI Key | JFLLEMSELANNCK-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 compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amidesglutamic acid and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amide1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativesglutamic acid or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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