| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:21 UTC |
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| Update Date | 2025-03-25 00:53:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197405 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO4 |
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| Molecular Mass | 185.0688 |
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| SMILES | CC=C1CC(O)(C(=O)OC)NC1=O |
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| InChI Key | XPTOJNJLFOCGJN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acidsazacyclic compoundscarbonyl compoundshydrocarbon derivativeslactamsmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamorganic oxidemethyl esterpyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundalkanolamineoxoprolineazacyclealpha-amino acid estercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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