| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:21 UTC |
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| Update Date | 2025-03-21 18:38:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123155 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C9H7NO |
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| Molecular Mass | 145.0528 |
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| SMILES | CC1=NC(=O)c2ccccc21 |
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| InChI Key | IVUFXZVKVFMAAI-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 derivativesisoindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleisoindoleorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundisoindoloneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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