| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:52 UTC |
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| Update Date | 2025-03-25 00:52:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194044 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16ClN |
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| Molecular Mass | 221.0971 |
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| SMILES | CN1CCCC2c3cc(Cl)ccc3CC21 |
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| InChI Key | QAUJLHPIALUTON-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 | indanes |
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| Subclass | indanes |
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| Direct Parent | indanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundshydrocarbon derivativesorganochloridesorganopnictogen compoundspiperidinestrialkylamines |
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| Substituents | aryl chlorideazacycleorganochloridetertiary aliphatic amineorganohalogen compoundaryl halidearomatic heteropolycyclic compoundindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpiperidineaminetertiary amineorganoheterocyclic compound |
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