| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:56 UTC |
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| Update Date | 2025-03-25 00:46:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153326 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12N2O2 |
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| Molecular Mass | 240.0899 |
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| SMILES | COc1ccc2c(=O)[nH]c3c(C)nccc3c2c1 |
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| InChI Key | NVGDVIMTEWUZHB-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-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmethylpyridinesnaphthyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinones |
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| Substituents | phenol etheretherlactampolyhalopyridinealkyl aryl etherorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolone2-halopyridinenaphthyridineazacycleheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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