| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:14:53 UTC |
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| Update Date | 2025-03-24 21:33:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01813230 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C7H5NO |
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| Molecular Mass | 119.0371 |
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| SMILES | O=C1C2=CNC1=CC=C2 |
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| InChI Key | QLJLEMBLLFGKRW-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 | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkylamineshydrocarbon derivativesketonesorganic oxidesorganopnictogen compoundspyrrolinesvinylogous amides |
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| Substituents | vinylogous amidesecondary aliphatic aminecarbonyl groupazacyclesecondary amineketonealiphatic heteropolycyclic compoundorganic oxideorganic oxygen compoundazepinepyrrolineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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