| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:21 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250204 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H4ClNO3 |
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| Molecular Mass | 172.988 |
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| SMILES | O=C(O)c1ccc(C(=O)Cl)[nH]1 |
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| InChI Key | BQRHFYWJHNPJCE-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 | acyl chloridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivatives |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundcarboxylic acid derivativeorganohalogen compoundacyl halideorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidorganic oxygen compoundacyl chlorideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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