| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:59 UTC |
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| Update Date | 2025-03-25 00:47:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO4 |
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| Molecular Mass | 221.0688 |
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| SMILES | CC1(C)C(=O)NC(=O)c2c(O)cc(O)cc21 |
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| InChI Key | XTQCKKVIEQTENT-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesisoquinolones and derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstetrahydroisoquinolinesvinylogous acids |
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| Substituents | carbonyl groupazacycle1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivative1,3-isoquinolinedionecarboxylic acid imidevinylogous acidcarboxylic acid imide, n-unsubstitutedorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoiddicarboximideorganic nitrogen compoundorganooxygen compound |
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