| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:07 UTC |
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| Update Date | 2025-03-21 18:39:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127321 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C9H15NO7 |
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| Molecular Mass | 249.0849 |
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| SMILES | CC(=O)NC1C(O)COC(C(=O)O)C(O)C1O |
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| InChI Key | VRJABLQSDVANBG-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 | acetamidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidcarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundacetamidealcoholhydroxy acidcarboxamide groupoxepaneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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