| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:02:35 UTC |
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| Update Date | 2025-03-24 22:28:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01209034 |
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| Frequency | 1.1 |
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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 | OC1N=Cc2ccccc21 |
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| InChI Key | ZWBJIYCSMGOAIC-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 | isoindoles |
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| Direct Parent | isoindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkanolaminesazacyclic compoundsbenzenoidshydrocarbon derivativesiminesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleimineisoindoleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundalkanolamine |
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