| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:23 UTC |
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| Update Date | 2025-03-21 18:32:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091696 |
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| Frequency | 30.6 |
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| Structure | |
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| Chemical Formula | C16H24ClNO |
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| Molecular Mass | 281.1546 |
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| SMILES | CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1 |
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| InChI Key | HQVQWOHDTVRIMI-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 | 1,3-aminoalcoholsaryl chloridescyclic alcohols and derivativescyclohexanolshydrocarbon derivativesorganochloridesorganopnictogen compoundstertiary alcoholstrialkylamines |
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| Substituents | aryl chloridechlorobenzenealcohol1,3-aminoalcoholorganochloridetertiary aliphatic aminecyclohexanolcyclic alcoholorganohalogen compoundaryl halidearomatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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