| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:32 UTC |
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| Update Date | 2025-03-21 18:05:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058693 |
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| Frequency | 53.8 |
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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 | O=CNc1cc(Cl)ccc1C(=O)O |
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| InChI Key | NECABFDZAZQUHX-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 compounds4-halobenzoic acidsanilidesaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidorganochloridebenzoyln-arylamidecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenevinylogous amidehalobenzoic acidacylaminobenzoic acid or derivatives4-halobenzoic acidhalobenzoic acid or derivativescarboxamide grouparyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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