| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:47:53 UTC |
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| Update Date | 2025-03-25 00:27:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02033317 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C8H11NO |
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| Molecular Mass | 137.0841 |
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| SMILES | O=C1NCC2=C1CCCC2 |
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| InChI Key | ZFWNZBXRODTRIC-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesisoindoleslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamazacycleisoindolecarboxamide groupcarboxylic acid derivativealiphatic heteropolycyclic compoundsecondary carboxylic acid amideisoindoloneorganic oxideorganic oxygen compoundpyrrolineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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