| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:00 UTC |
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| Update Date | 2025-03-25 00:59:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235651 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O6 |
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| Molecular Mass | 336.1321 |
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| SMILES | COc1ccc2c(NC3C(O)OC(CO)C(O)C3O)ccnc2c1 |
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| InChI Key | GMZNQIULMLAHGO-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonosaccharidesorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholssecondary alcoholssecondary alkylarylamines |
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| Substituents | phenol etheretherpolyhalopyridinemonosaccharidealkyl aryl ethersaccharidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundhemiacetal2-halopyridineoxaneprimary alcoholalcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminesecondary aliphatic/aromatic amineoxacyclepyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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