| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:22 UTC |
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| Update Date | 2025-03-21 18:38:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120821 |
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| Frequency | 40.5 |
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| Structure | |
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| Chemical Formula | C9H7NO4 |
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| Molecular Mass | 193.0375 |
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| SMILES | O=C(O)C1(O)C(=O)Nc2ccccc21 |
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| InChI Key | ZIRNGVKTYXWMMB-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 |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | carbonyl grouplactamcarboxylic acidindolealpha-hydroxy acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindolealcoholazacyclehydroxy acidcarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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