| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:52 UTC |
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| Update Date | 2025-03-21 18:41:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133772 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C13H13N3O2 |
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| Molecular Mass | 243.1008 |
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| SMILES | NC(Cc1c[nH]c2[nH]c3ccccc3c12)C(=O)O |
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| InChI Key | HSWAKAUXCVDWAD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | pyrroloindoles |
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| Direct Parent | pyrroloindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsazolesbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-amino acid or derivativescarboxylic acid derivativepyrroloindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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