| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:49 UTC |
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| Update Date | 2025-03-25 00:50:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182670 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H13NO2 |
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| Molecular Mass | 239.0946 |
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| SMILES | O=C1c2ccccc2C(O)NC1c1ccccc1 |
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| InChI Key | BHOOLTGCKOEIFO-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 | alkanolaminesaryl alkyl ketonesazacyclic compoundsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundstetrahydroisoquinolines |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietyaryl alkyl ketoneazacyclesecondary amineketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminearyl ketonealkanolamine |
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