| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:34 UTC |
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| Update Date | 2025-03-21 18:40:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128409 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C23H28N2O5 |
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| Molecular Mass | 412.1998 |
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| SMILES | COc1ccc(C2Cc3ccc(O)cc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | WMYUHXJVXJSAPT-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 | benzazepines |
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| Subclass | benzazepines |
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| Direct Parent | benzazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acids and derivativesanisolesazacyclic compoundsazepinescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary amineazacycletertiary aliphatic aminecarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundazepineanisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundbenzazepineamineorganooxygen compound |
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