| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:15 UTC |
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| Update Date | 2025-03-21 18:29:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077174 |
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| Frequency | 38.1 |
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| Structure | |
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| Chemical Formula | C25H24NO4+ |
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| Molecular Mass | 402.17 |
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| SMILES | COc1ccc2cc3c(cc2c1OC)-c1cc2ccc(OC)c(OC)c2c[n+]1CC3 |
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| InChI Key | OSACPXWRPHWNIG-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-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesisoquinolines and derivativesmethylpyridinesnaphthalenesorganic cationsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonphenol etheretherpolyhalopyridinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundquinolizineazacycleheteroaromatic compoundmethylpyridineprotoberberine skeletonpyridinenaphthaleneorganic oxygen compoundanisoleisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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