| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:38 UTC |
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| Update Date | 2025-03-21 18:40:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130950 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C24H28N2O6 |
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| Molecular Mass | 440.1947 |
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| SMILES | COc1ccc(C2C(=O)c3ccc(OC)cc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | LTPNOOFQCHXSLG-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 | alkyl aryl ethersamino acids and derivativesanisolesaryl alkyl ketonesazacyclic compoundsazepinescarboxylic acid estershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamaryl alkyl ketoneamino acid or derivativesalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary aminevinylogous amideazacycletertiary aliphatic aminecarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundazepineanisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundbenzazepineamineorganooxygen compoundaryl ketone |
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