| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:53 UTC |
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| Update Date | 2025-03-25 01:01:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251426 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H16NO2+ |
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| Molecular Mass | 290.1176 |
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| SMILES | Oc1ccc2c[n+]3c(cc2c1)-c1cc2c(cc1CC3)CCO2 |
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| InChI Key | KKXYSGXDTXKMLS-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-halopyridinesalkyl aryl ethersazacyclic compoundsbenzenoidscoumaransheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonetherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundcoumaranquinolizineazacycleheteroaromatic compoundhydroxypyridineprotoberberine skeletonoxacyclepyridineorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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