| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:59 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194310 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO5 |
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| Molecular Mass | 299.0794 |
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| SMILES | CN1C(=O)c2cc(O)cc(O)c2C(=O)C1c1ccc(O)cc1 |
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| InChI Key | VMJBBPWZLGBAHX-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 | 1,4-isoquinolinediones |
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| Direct Parent | 1,4-isoquinolinediones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativesisoquinolones and derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstertiary carboxylic acid amidestetrahydroisoquinolinesvinylogous acids |
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| Substituents | monocyclic benzene moietylactamaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketoneorganic oxide2,3-dihydroisoquinoline-1,4-dionearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinoloneazacycle1-hydroxy-4-unsubstituted benzenoidcarboxamide groupvinylogous acidorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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