| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:09 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160507 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O2 |
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| Molecular Mass | 176.0586 |
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| SMILES | Nc1cc2cccc(O)c2c(=O)[nH]1 |
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| InChI Key | IXCPXLLUXRLTOJ-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 | isoquinolones and derivatives |
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| Direct Parent | isoquinolones 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-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridinonesvinylogous acids |
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| Substituents | lactampolyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolone2-halopyridineazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidvinylogous acidpyridineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundpyridinoneamineorganooxygen compound |
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