| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:55 UTC |
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| Update Date | 2025-03-25 00:52:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191945 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14ClNO6 |
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| Molecular Mass | 267.051 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)OC1CCl |
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| InChI Key | MCGSMKPCADDSTA-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl chloridesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidalkyl chlorideorganochloridealpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalalkyl halideoxaneacetamidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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