| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:39 UTC |
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| Update Date | 2025-03-21 18:04:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052005 |
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| Frequency | 62.7 |
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| Structure | |
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| Chemical Formula | C12H18ClNO2 |
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| Molecular Mass | 243.1026 |
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| SMILES | CC(C)NCC(O)COc1ccccc1Cl |
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| InChI Key | UXPPUNYWLDXKEG-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chlorideschlorobenzenesdialkylamineshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyetherorganochloridealkyl aryl etherorganohalogen compoundorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenealcoholsecondary aliphatic aminesecondary aminearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compoundamine |
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