| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:59 UTC |
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| Update Date | 2025-03-21 18:35:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107895 |
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| Frequency | 24.9 |
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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)c1ccc(C(=O)O)c(Cl)c1 |
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| InChI Key | ZPXGNBIFHQKREO-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 | p-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acids3-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 acidpara_phthalic_acidaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehalobenzeneorganooxygen compound |
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