| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:54 UTC |
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| Update Date | 2025-03-25 00:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237610 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO3 |
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| Molecular Mass | 231.0895 |
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| SMILES | O=C1CCC(CN2Cc3ccccc3C2=O)O1 |
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| InChI Key | KTALHWHFKIAZAX-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 | isoindoles and derivatives |
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| Subclass | isoindolines |
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| Direct Parent | isoindolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesisoindoleslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstertiary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl grouplactamcarboxylic acid derivativelactoneisoindoloneorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundazacycletetrahydrofuranisoindolecarboxamide groupgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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