| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:11 UTC |
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| Update Date | 2025-03-25 00:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236028 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO3 |
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| Molecular Mass | 283.1208 |
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| SMILES | COc1ccc(C2C(O)c3ccccc3C(=O)N2C)cc1 |
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| InChI Key | FNYDBZYLUXRHGA-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 | alkyl aryl ethersanisolesazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | phenol ethermonocyclic benzene moietyetherlactamalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonealcoholazacyclecarboxamide groupmethoxybenzeneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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