| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:33 UTC |
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| Update Date | 2025-03-21 18:41:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135294 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C5H4ClNO2 |
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| Molecular Mass | 144.9931 |
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| SMILES | O=C(O)c1cc(Cl)c[nH]1 |
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| InChI Key | YOTWVAYGATYZPA-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 chloridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivatives |
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| Substituents | aryl chloridecarboxylic acidaromatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundcarboxylic acid derivativeorganohalogen compoundaryl halideorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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