| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:32 UTC |
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| Update Date | 2025-03-21 18:41:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135241 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C19H21N3O8 |
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| Molecular Mass | 419.1329 |
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| SMILES | O=C(O)CCC(NC(=O)C(CC(=O)O)NC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | SPFXOBSMJUHDQQ-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 | alpha amino acid amidesalpha amino acidsaspartic acid and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsglutamic acid and derivativesheteroaromatic compoundshydrocarbon derivativesindolesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amidetricarboxylic acid or derivativesalpha-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 groupn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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