| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:58 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185247 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O |
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| Molecular Mass | 215.1059 |
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| SMILES | NC(=O)C(N)Cc1cncc2ccccc12 |
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| InChI Key | RJPOLWIZWUDACE-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 | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridines and derivatives |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouppolyhalopyridinefatty amidealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundazacycleheteroaromatic compoundcarboxamide grouppyridineorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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