| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:18 UTC |
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| Update Date | 2025-03-25 00:46:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156467 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO4 |
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| Molecular Mass | 181.0375 |
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| SMILES | Cc1c(C=O)[nH]c(C(=O)O)c1C=O |
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| InChI Key | MKTQOCMPWHVGKC-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-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativesvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidaryl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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