| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:39 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H5NO4 |
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| Molecular Mass | 191.0219 |
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| SMILES | O=C1NC(=O)c2ccc(O)cc2C1=O |
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| InChI Key | DAQMWHURHUCWHR-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 | 1,3-isoquinolinediones |
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| Direct Parent | 1,3-isoquinolinediones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-isoquinolinediones1-hydroxy-2-unsubstituted benzenoidsaryl ketonesazacyclic compoundsbenzenoidscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesisoquinolones and derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstetrahydroisoquinolines |
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| Substituents | carbonyl groupazacycle1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivative1,3-isoquinolinedionecarboxylic acid imideketonecarboxylic acid imide, n-unsubstitutedorganic oxide2,3-dihydroisoquinoline-1,4-dioneorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoiddicarboximideorganic nitrogen compoundorganooxygen compoundaryl ketone |
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