| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:51 UTC |
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| Update Date | 2025-03-21 18:40:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131476 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C14H21NO3 |
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| Molecular Mass | 251.1521 |
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| SMILES | CCC1C(=O)NC(CCC2=C(C)CC(=O)O2)C1C |
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| InChI Key | QRBDWIKBWIBPPX-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 | pyrrolidines |
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| Subclass | pyrrolidones |
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| Direct Parent | pyrrolidine-2-ones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsdihydrofuransenol estershydrocarbon derivativeslactamslactonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acid derivativelactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundenol esterdihydrofuranazacyclecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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