| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:11 UTC |
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| Update Date | 2025-03-25 00:52:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16ClNO |
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| Molecular Mass | 249.092 |
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| SMILES | CCC1=C(C)C(Cc2ccc(Cl)cc2)NC1=O |
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| InChI Key | OAMVORQXGBXJHM-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 | halobenzenes |
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| Direct Parent | chlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundaryl chloridechlorobenzeneazacyclecarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrrolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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