| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:50 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166667 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19ClN2O2 |
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| Molecular Mass | 318.1135 |
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| SMILES | CC(=O)NCCC(O)c1ccccc1Nc1ccc(Cl)cc1 |
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| InChI Key | ACMFRTWKXVHDAT-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 homomonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaromatic alcoholsaryl chloridescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundssecondary alcoholssecondary aminessecondary carboxylic acid amides |
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| Substituents | aromatic alcoholcarbonyl groupamino acid or derivativesorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidearyl chloridechlorobenzenealcoholsecondary aminecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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