| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:22:36 UTC |
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| Update Date | 2025-03-25 01:24:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02391199 |
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| Frequency | 0.5 |
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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 | OC1=CC=C2C=CC1=CN2 |
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| InChI Key | CKPXQPWXXMKKRB-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 compoundsdialkylaminesdihydropyridineshydrocarbon derivativesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | secondary aliphatic amineazacyclesecondary aminealiphatic heteropolycyclic compoundorganic oxygen compoundazepineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compounddihydropyridineorganooxygen compoundamine |
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