| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:37:24 UTC |
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| Update Date | 2025-03-21 17:57:40 UTC |
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| HMDB ID | HMDB0253647 |
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| Metabolite Identification |
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| DeepMet ID | DMID00009418 |
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| Name | Isoindolin-1-one |
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| Frequency | 703.3 |
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| Structure | |
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| Chemical Formula | C8H7NO |
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| Molecular Mass | 133.0528 |
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| SMILES | O=C1NCc2ccccc21 |
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| InChI Key | PXZQEOJJUGGUIB-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 compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesisoindoleslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | lactamazacycleisoindolecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideisoindoloneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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