| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:18 UTC |
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| Update Date | 2025-03-21 18:01:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032066 |
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| Frequency | 114.3 |
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| Structure | |
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| Chemical Formula | C7H6ClNO2 |
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| Molecular Mass | 171.0087 |
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| SMILES | Nc1ccc(C(=O)O)cc1Cl |
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| InChI Key | YIYBPEDZAUFQLO-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 | amino acidsaryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsprimary amines |
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| Substituents | carboxylic acidamino acid or derivativesamino acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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