| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:04 UTC |
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| Update Date | 2025-03-21 18:02:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038726 |
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| Frequency | 90.2 |
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| Structure | |
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| Chemical Formula | C8H2Cl3NO3 |
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| Molecular Mass | 264.91 |
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| SMILES | N#Cc1c(O)c(Cl)c(Cl)c(C(=O)O)c1Cl |
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| InChI Key | FEAFLMCHHMAOTP-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 | hydroxybenzoic acid 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 acidsbenzonitrilesbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesnitrileso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous halides |
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| Substituents | 2-halobenzoic acidnitrilecarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidcarbonitrilearyl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenolhalobenzoic acidhalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesbenzonitrilearyl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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