| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:55 UTC |
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| Update Date | 2025-03-21 18:38:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122195 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C16H22N2O2 |
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| Molecular Mass | 274.1681 |
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| SMILES | CC(C)CC1CC(O)=NC(Cc2ccccc2)C(O)=N1 |
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| InChI Key | UUNAAXNTVQWBOO-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 | diazepines |
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| Subclass | 1,4-diazepines |
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| Direct Parent | 1,4-diazepines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescyclic carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundpara-diazepineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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