| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:50 UTC |
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| Update Date | 2025-03-25 00:52:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12ClNO5 |
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| Molecular Mass | 237.0404 |
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| SMILES | CC(=O)NC1C(O)C(=O)OC1C(O)CCl |
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| InChI Key | HOHGDAHLCUBTST-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 | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl chloridescarbonyl compoundscarboxylic acid esterschlorohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupchlorohydrinalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halideacetamidealcoholtetrahydrofuranhalohydrincarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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