| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:49 UTC |
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| Update Date | 2025-03-21 18:04:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052362 |
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| Frequency | 62.2 |
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| Structure | |
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| Chemical Formula | C18H14NO4+ |
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| Molecular Mass | 308.0917 |
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| SMILES | Oc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2 |
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| InChI Key | XEMZOAPUNDFXOC-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-halopyridinesacetalsazacyclic compoundsbenzenoidsbenzodioxolesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundbenzodioxolequinolizineazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidprotoberberine skeletonoxacyclepyridineorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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