| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:30 UTC |
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| Update Date | 2025-03-25 00:45:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149961 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5ClN2O2 |
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| Molecular Mass | 184.004 |
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| SMILES | N=Nc1c(Cl)cccc1C(=O)O |
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| InChI Key | RELALTDOUMXGQN-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 | 3-halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboxylic acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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