| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:28 UTC |
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| Update Date | 2025-03-21 18:38:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123424 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C11H9NO3 |
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| Molecular Mass | 203.0582 |
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| SMILES | O=C(O)Cn1ccc2ccccc2c1=O |
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| InChI Key | SMAQTXRPPCAWTK-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 | alpha amino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinones |
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| Substituents | carbonyl grouplactamcarboxylic acidpolyhalopyridinealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinoloneazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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