| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:10 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222570 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H6N2O2 |
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| Molecular Mass | 186.0429 |
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| SMILES | O=C1Nc2c[nH]c(=O)c3cccc1c23 |
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| InChI Key | YLDFLKBLBDDJKE-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 | azacyclic compoundsbenzenoidscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesisoindolesisoindoloneslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyridinonessecondary carboxylic acid amides |
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| Substituents | lactampolyhalopyridinecarboxylic acid derivativeisoindoloneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinoloneazacycleisoindoleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundisoindole or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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