| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:34 UTC |
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| Update Date | 2025-03-21 18:00:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028003 |
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| Frequency | 135.0 |
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| Structure | |
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| Chemical Formula | C18H14NO2+ |
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| Molecular Mass | 276.1019 |
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| SMILES | c1ccc2c[n+]3c(cc2c1)-c1cc2c(cc1CC3)OCO2 |
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| InChI Key | QFXXWZCOIVFPGL-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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