| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:19 UTC |
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| Update Date | 2025-03-25 00:54:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204250 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9NO |
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| Molecular Mass | 183.0684 |
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| SMILES | Oc1ccc2c3ccccc3ccn12 |
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| InChI Key | RFZSJBCTRXWASZ-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 | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolizinesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyrroles |
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| Substituents | pyrrolopyridineazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundindolizineorganooxygen compound |
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