| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:42 UTC |
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| Update Date | 2025-03-21 18:34:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099768 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C11H22N2O7 |
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| Molecular Mass | 294.1427 |
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| SMILES | CC(=O)NC1C(O)CC(O)(CN)OC1C(O)C(O)CO |
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| InChI Key | LMODKRJGZWCQQF-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 | oxanes |
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| Subclass | oxanes |
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| Direct Parent | oxanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholcarbonyl groupcarboxamide groupcarboxylic acid derivativeoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhemiacetalhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundoxaneprimary alcoholacetamideorganooxygen compound |
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