| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:10 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149165 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO2 |
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| Molecular Mass | 205.1103 |
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| SMILES | CC1c2ccc3c(c2OCO3)CCN1C |
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| InChI Key | HRRPQRUSXQULPJ-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsaralkylaminesazacyclic compoundsbenzenoidshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | azacycletertiary aliphatic aminearalkylamineoxacycleorganic oxygen compoundazepineacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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