| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:55 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219647 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO4 |
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| Molecular Mass | 299.1158 |
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| SMILES | COc1cc2c(cc1O)CN(C)Cc1cc3c(cc1-2)OCO3 |
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| InChI Key | SNCJBNBPFGEQST-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 benzenoidsacetalsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundsazepinesbenzodioxoleshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | phenol etherether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraralkylamineacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary aminebenzodioxoleazacycletertiary aliphatic amineoxacycleorganic oxygen compoundazepineanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineamineorganooxygen compound |
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