| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:24 UTC |
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| Update Date | 2025-03-25 00:47:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14NO4+ |
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| Molecular Mass | 284.0917 |
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| SMILES | c1c2c(cc3c1OCO3)-c1cc3c(c[n+]1CCC2)OCO3 |
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| InChI Key | JGBVCRMTYIKGQW-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 | 2-halopyridinesacetalsazacyclic compoundsazepinesbenzenoidsbenzodioxolesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundoxacyclepyridineorganic oxygen compoundazepineacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cationbenzazepineorganooxygen compoundbenzodioxole |
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