| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:04 UTC |
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| Update Date | 2025-03-25 00:50:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183214 |
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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(c1ccc(O)c(O)c1)N1CCc2ccccc2C1 |
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| InChI Key | KJBAZSPGCLFDIK-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | monocyclic benzene moietyazacyclebenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativebenzylisoquinolinebenzamideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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