| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:18 UTC |
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| Update Date | 2025-03-21 18:35:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106185 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C7H7NO3 |
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| Molecular Mass | 153.0426 |
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| SMILES | CC(=O)c1ccc(C(=O)O)[nH]1 |
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| InChI Key | YRMBXPFUGHFOKT-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivatives |
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| Substituents | carboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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