| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:07 UTC |
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| Update Date | 2025-03-25 00:57:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226878 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H28N2O3 |
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| Molecular Mass | 380.21 |
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| SMILES | CC(C)CC1N=C(O)C(Cc2ccc(O)cc2)C(Cc2ccccc2)N=C1O |
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| InChI Key | KGBYPBFXVLOCEN-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic 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 compoundazacycle1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundpara-diazepineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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