| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:45 UTC |
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| Update Date | 2025-03-21 18:36:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112190 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C9H7NO2 |
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| Molecular Mass | 161.0477 |
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| SMILES | Oc1cc2c(O)cccc2cn1 |
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| InChI Key | YBEXDCQZKDVVPH-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 benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidpyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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