| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202486 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H14NO4+ |
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| Molecular Mass | 320.0917 |
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| SMILES | O=C(O)c1ccc2cc3[n+](cc2c1)CCc1cc2c(cc1-3)OCO2 |
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| InChI Key | SFJHBPKRRONVMJ-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 | 2-halopyridinesacetalsazacyclic compoundsbenzenoidsbenzodioxolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletoncarboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundbenzodioxolequinolizineazacycleheteroaromatic compoundhydroxypyridineprotoberberine skeletonoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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