| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:54 UTC |
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| Update Date | 2025-03-25 00:56:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221959 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17N3O7 |
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| Molecular Mass | 363.1066 |
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| SMILES | O=c1nc2n(CC(O)C(O)C(O)CO)cc3ccc(O)cc3c-2c(=O)[nH]1 |
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| InChI Key | KRDUWJDKDMDUIG-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 | isoquinolines and derivatives |
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| Subclass | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary alcoholspyrido[2,3-d]pyrimidinespyrimidonessecondary alcohols |
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| Substituents | lactampolyhalopyridine1-hydroxy-2-unsubstituted benzenoidpyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridineprimary alcoholalcoholcarbonic acid derivativeazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundpyrido[2,3-d]pyrimidineisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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