| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:04 UTC |
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| Update Date | 2025-03-25 00:56:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220017 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7ClO4 |
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| Molecular Mass | 202.0033 |
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| SMILES | Cc1c(O)cc(O)c(C(=O)O)c1Cl |
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| InChI Key | JGNQUPJIKBFZFM-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids2-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsortho cresolspara cresolsresorcinolstoluenesvinylogous acidsvinylogous halides |
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| Substituents | 2-halobenzoic acidcarboxylic acidorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganohalogen compoundresorcinolorganic oxidep-cresolo-cresol1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzene3-halophenol3-chlorophenolhalobenzoic acidhalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativehalobenzenetolueneorganooxygen compound |
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