| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:55 UTC |
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| Update Date | 2025-03-25 00:55:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17ClN2O5 |
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| Molecular Mass | 268.0826 |
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| SMILES | CC(=O)NC1C(N)OC(CO)C(Cl)C(O)C1O |
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| InChI Key | PVOPVBALIDZUDF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl chloridescarbonyl compoundscarboxylic acids and derivativeschlorohydrinshemiaminalshydrocarbon derivativesmonoalkylaminesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupchlorohydrinalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundhemiaminalorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholacetamidealcoholhalohydrincarboxamide groupoxepaneoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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