| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:31 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221075 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15NO3 |
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| Molecular Mass | 269.1052 |
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| SMILES | O=C(c1ccccc1)C1NCCc2cc(O)c(O)cc21 |
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| InChI Key | SMUCYGGPVJFOCT-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 | benzylisoquinolines |
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| Direct Parent | benzylisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl-phenylketonesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundstetrahydroisoquinolines |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsecondary aliphatic amineazacyclesecondary aminebenzylisoquinolinephenylketoneorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaminearyl ketone |
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