| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:03 UTC |
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| Update Date | 2025-03-25 00:50:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183157 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H14NO5S+ |
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| Molecular Mass | 356.0587 |
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| SMILES | O=S(O)Oc1cccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2 |
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| InChI Key | FBUJLIYRRRQIEA-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 compoundsbenzenoidsbenzodioxolesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesquinolizines |
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| Substituents | tetrahydroprotoberberine skeletonpolyhalopyridineorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundbenzodioxolequinolizineazacycleheteroaromatic compoundhydroxypyridineprotoberberine skeletonoxacyclepyridineorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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