| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:53 UTC |
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| Update Date | 2025-03-21 18:38:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122089 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C19H14NO4+ |
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| Molecular Mass | 320.0917 |
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| SMILES | c1c2c(cc3c1OCO3)-c1cc3cc4c(cc3c[n+]1CC2)OCO4 |
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| InChI Key | IDEMWTMCJLNBDH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | protoberberine alkaloids and derivatives |
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| Subclass | protoberberine alkaloids and derivatives |
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| Direct Parent | protoberberine alkaloids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundsbenzenoidsbenzodioxolesheteroaromatic compoundshydrocarbon derivativesisoquinolines and derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridines and derivativesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonazacyclepolyhalopyridineheteroaromatic compoundprotoberberine skeletonoxacyclepyridineorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compoundbenzodioxolequinolizine |
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