| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:57 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239976 |
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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 | O=C1CNc2cccc3cccc1c23 |
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| InChI Key | KWDNQINGVLTCDX-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 | aryl alkyl ketonesazacyclic compoundshydrocarbon derivativesnaphthalenesorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | aryl alkyl ketoneazacyclesecondary aminesecondary aliphatic/aromatic amineketoneorganic oxidenaphthaleneorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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