| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:42 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219147 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H18NO3+ |
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| Molecular Mass | 356.1281 |
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| SMILES | COc1ccc2ccc3cc4[n+](cc3c2c1)CCc1cc2c(cc1-4)OCO2 |
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| InChI Key | OQSWGMFWGDWVJP-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-halopyridinesacetalsalkyl aryl ethersanisolesazacyclic compoundsbenzodioxolesheteroaromatic compoundshydrocarbon derivativesisoquinolines and derivativesmethylpyridinesnaphthalenesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonphenol etheretherpolyhalopyridinealkyl aryl etheracetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundbenzodioxolequinolizineazacycleheteroaromatic compoundmethylpyridineprotoberberine skeletonoxacyclepyridinenaphthaleneorganic oxygen compoundanisoleisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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