| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:15 UTC |
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| Update Date | 2025-03-21 18:32:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088990 |
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| Frequency | 31.8 |
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| Structure | |
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| Chemical Formula | C7H5Cl2NO |
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| Molecular Mass | 188.9748 |
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| SMILES | NC(=O)c1cc(Cl)ccc1Cl |
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| InChI Key | NMHJIYQWKWHDSX-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 and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 2-halobenzoic acids and derivativesaryl chloridesbenzamidesbenzoyl derivativescarboxylic acids and derivativesdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous halides |
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| Substituents | primary carboxylic acid amide3-halobenzoic acid or derivativesorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzene1,4-dichlorobenzenecarboxamide groupvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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