| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:59 UTC |
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| Update Date | 2025-03-21 18:40:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131794 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C8H5ClO4 |
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| Molecular Mass | 199.9876 |
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| SMILES | O=C(O)c1cccc(Cl)c1C(=O)O |
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| InChI Key | BKFXSOCDAQACQM-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 | 2-halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzenesdicarboxylic acids and derivativeshalobenzoic acidshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsvinylogous halides |
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| Substituents | 2-halobenzoic acidcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidvinylogous halidearyl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehalobenzeneorganooxygen compound |
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