| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:23 UTC |
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| Update Date | 2025-03-21 18:29:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079940 |
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| Frequency | 36.4 |
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| Structure | |
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| Chemical Formula | C10H11NO2 |
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| Molecular Mass | 177.079 |
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| SMILES | CN1Cc2ccccc2C(O)C1=O |
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| InChI Key | MABJXBKFMCSSCZ-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 compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | alcoholcarbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinesecondary alcoholorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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