| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:45 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200704 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22NO6+ |
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| Molecular Mass | 372.1442 |
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| SMILES | COc1ccc2c[n+](C3OC(CO)C(O)C(O)C3O)c3ccccc3c2c1 |
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| InChI Key | IULHTOFDZMAYKK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | benzoquinolines |
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| Direct Parent | phenanthridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmethylpyridinesmonosaccharidesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholssecondary alcohols |
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| Substituents | phenol etheretherpolyhalopyridinemonosaccharidealkyl aryl ethersaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationoxaneprimary alcoholalcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridineoxacyclepyridineorganic oxygen compoundanisoleisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundorganooxygen compound |
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