| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:25 UTC |
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| Update Date | 2025-03-25 00:45:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149776 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O |
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| Molecular Mass | 212.095 |
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| SMILES | Cc1[nH]c2c([nH]c(=O)c3ccccc32)c1C |
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| InChI Key | YHMBESJSLNWHIT-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 | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactamsmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonespyrroles |
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| Substituents | lactamazacyclepolyhalopyridineheteroaromatic compoundmethylpyridineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundpyridinoneorganooxygen compound |
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