| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:43 UTC |
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| Update Date | 2025-03-21 18:40:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131159 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C21H20NO4+ |
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| Molecular Mass | 350.1387 |
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| SMILES | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCCO2 |
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| InChI Key | MJZXVDXAFMOYES-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 compoundsbenzo-1,4-dioxanesheteroaromatic compoundshydrocarbon derivativesisoquinolines and derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspara dioxinspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonphenol etheretherpolyhalopyridinealkyl aryl etherbenzodioxanearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundquinolizinebenzo-1,4-dioxaneazacycleheteroaromatic compoundmethylpyridineprotoberberine skeletonoxacyclepyridineorganic oxygen compoundpara-dioxinanisoleisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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