| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:17 UTC |
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| Update Date | 2025-03-21 18:40:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130099 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C9H10N2O |
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| Molecular Mass | 162.0793 |
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| SMILES | NC(=O)C1Cc2ccccc2N1 |
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| InChI Key | ATEDHUGCKSZDCP-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesindolesindolinesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary alkylarylamines |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativesindolealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindoleindolecarboxylic acid derivativealpha-amino acid amideazacyclesecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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