| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:15 UTC |
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| Update Date | 2025-03-21 18:03:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043962 |
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| Frequency | 77.1 |
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| Structure | |
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| Chemical Formula | C19H16NO4+ |
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| Molecular Mass | 322.1074 |
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| SMILES | COc1cc2cc3[n+](cc2cc1O)CCc1cc2c(cc1-3)OCO2 |
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| InChI Key | SORAPALRGLZEFI-UHFFFAOYSA-O |
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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 | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesacetalsalkyl aryl ethersanisolesazacyclic compoundsbenzodioxolesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonphenol etheretherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheracetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundbenzodioxolequinolizineazacycleheteroaromatic compoundhydroxypyridinemethylpyridineprotoberberine skeletonoxacyclepyridineorganic oxygen compoundanisoleisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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