| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:24 UTC |
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| Update Date | 2025-03-25 00:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236516 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H14NO3+ |
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| Molecular Mass | 280.0968 |
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| SMILES | Oc1cc2c(cc1O)-c1cc3cccc(O)c3c[n+]1CC2 |
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| InChI Key | XRYSXDCLAJBAEB-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 benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidprotoberberine skeletonpyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compoundquinolizine |
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