Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:42:05 UTC |
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Update Date | 2025-03-21 17:59:17 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00019971 |
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Frequency | 203.7 |
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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)C(=O)OC1C(O)C(O)CO |
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InChI Key | NWCUFSROAXWJSS-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 | acetamidescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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Substituents | carbonyl groupmonosaccharidecarboxylic acid derivativesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholacetamidealcoholtetrahydrofurancarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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