| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:49 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153064 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClNO3 |
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| Molecular Mass | 199.0036 |
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| SMILES | NC(=O)c1c(Cl)cccc1C(=O)O |
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| InChI Key | UDMYIUIWBAXDOQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | 3-halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acids and derivativesaryl chloridesbenzamidesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous halides |
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| Substituents | primary carboxylic acid amidecarboxylic acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundbenzamideorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidcarboxamide groupvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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