| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:58 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167000 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7ClO3 |
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| Molecular Mass | 198.0084 |
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| SMILES | CC(=O)c1cccc(C(=O)O)c1Cl |
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| InChI Key | ITMLUCQGSBMBCU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acidsacetophenonesaryl alkyl ketonesaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsvinylogous halides |
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| Substituents | monocyclic benzene moiety2-halobenzoic acidcarboxylic acidaryl alkyl ketoneorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxideacetophenone1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidhalobenzenealkyl-phenylketone |
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