Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:55:36 UTC |
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Update Date | 2025-03-25 00:52:03 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02191224 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C9H13NO4 |
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Molecular Mass | 199.0845 |
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SMILES | CC(=O)NC1C(O)CC2C(=O)OCC21 |
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InChI Key | TWPKTMNCMMHEMX-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 heteropolycyclic compounds |
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Alternative Parents | acetamidescarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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Substituents | alcoholcarbonyl grouptetrahydrofurancyclic alcoholcarboxamide groupcarboxylic acid derivativegamma butyrolactonealiphatic heteropolycyclic compoundoxacyclesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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