| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:27 UTC |
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| Update Date | 2025-03-21 18:00:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027720 |
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| Frequency | 136.6 |
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| Structure | |
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| Chemical Formula | C21H22NO4+ |
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| Molecular Mass | 352.1543 |
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| SMILES | COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 |
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| InChI Key | QUCQEUCGKKTEBI-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 derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonphenol etheretherpolyhalopyridinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundquinolizineazacycleheteroaromatic compoundmethylpyridineprotoberberine skeletonpyridineorganic oxygen compoundanisoleisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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