| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:44 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177939 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H3Cl2NO4 |
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| Molecular Mass | 246.9439 |
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| SMILES | N#Cc1c(O)c(Cl)c(C(=O)O)c(O)c1Cl |
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| InChI Key | BSKXTDVIGPIFQZ-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 | dichlorobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,4-dihalobenzenes1,4-dihydroxy-2-halobenzenoids1-carboxy-2-haloaromatic compounds2-halobenzoic acids3-halobenzoic acidsaryl chloridesbenzonitrilesbenzoyl derivativeschlorohydroquinonesdichlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesnitrileso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssalicylic acidsvinylogous acidsvinylogous halides |
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| Substituents | 2-halobenzoic acidnitrilecarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylsalicylic acidchlorohydroquinone3-halobenzoic acidorganonitrogen compound1-carboxy-2-haloaromatic compoundaryl chloride2-chlorophenolchlorobenzene3-chlorophenolhalobenzoic acidvinylogous halidebenzonitrilearyl halidehydroxybenzoic acidhydroquinonearomatic homomonocyclic compoundvinylogous acidsalicylic acid or derivativesphenolhydrocarbon derivativehalobenzene1,4-dihalobenzenecarboxylic acid derivativeorganohalogen compoundorganic oxideorganopnictogen compoundcarbonitrile3-halophenol1,4-dichlorobenzenehalobenzoic acid or derivatives2-halobenzoic acid or derivatives2-halophenolmonocarboxylic acid or derivativesorganic oxygen compound2,5-dichlorobenzoic acid1,4-dihydroxy-2-halobenzenoidorganic nitrogen compoundorganooxygen compound |
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