| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:50 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166680 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8ClNO4 |
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| Molecular Mass | 229.0142 |
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| SMILES | CC(=O)Nc1c(Cl)ccc(C(=O)O)c1O |
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| InChI Key | QRMCYFJLKLJVIP-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoids4-halobenzoic acidsacetamidesaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesn-acetylarylamineso-haloacetanilidesorganic oxidesorganochloridesorganopnictogen compoundssalicylic acidssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylamineorganochlorideo-haloacetanilidebenzoyln-arylamidesalicylic acidcarboxylic acid derivativeorganohalogen compoundhaloacetanilideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamidearyl chloridechlorobenzene3-halophenol3-chlorophenolhalobenzoic acidacylaminobenzoic acid or derivatives4-halobenzoic acidacetanilidehalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparyl halidehydroxybenzoic acid4-halobenzoic acid or derivativesaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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