| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:46:05 UTC |
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| Update Date | 2025-03-24 20:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01600263 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C4H8ClNO |
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| Molecular Mass | 121.0294 |
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| SMILES | OC1(CCl)CNC1 |
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| InChI Key | ASEPFWNUBONGLP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | tertiary alcohols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundsazetidineschlorohydrinsdialkylamineshydrocarbon derivativesorganochloridesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminechlorohydrinazacyclehalohydrinalkyl chlorideorganochloridesecondary amineorganohalogen compoundazetidinetertiary alcoholaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundamine |
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