| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:09 UTC |
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| Update Date | 2025-03-25 00:52:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196929 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12ClNO3 |
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| Molecular Mass | 241.0506 |
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| SMILES | CCCC(=O)Nc1c(Cl)cccc1C(=O)O |
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| InChI Key | PXDFKNCEFIIULP-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 compounds3-halobenzoic acidsanilidesaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzenesfatty amideshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acid3-halobenzoic acid or derivativesorganochloridefatty amidebenzoyln-arylamidecarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenevinylogous amidehalobenzoic acidacylaminobenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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