| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:23 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179401 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22NO3+ |
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| Molecular Mass | 336.1594 |
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| SMILES | COc1ccc2c(c1)Cc1cc3ccc(OC)c(OC)c3c[n+]1CC2 |
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| InChI Key | KKQXWNJKFJAWJX-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-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsazepinesheteroaromatic compoundshydrocarbon derivativesisoquinolines and derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol etheretherazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherpyridineorganic oxygen compoundazepinearomatic heteropolycyclic compoundanisoleorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cationbenzazepineorganooxygen compound |
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