| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:02 UTC |
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| Update Date | 2025-03-25 00:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240172 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H13NO3 |
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| Molecular Mass | 255.0895 |
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| SMILES | O=C1c2ccccc2C(O)CN1c1ccc(O)cc1 |
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| InChI Key | CKYNXYYVWSPQLG-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | alcoholmonocyclic benzene moietylactamazacycle1-hydroxy-2-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinesecondary alcoholorganopnictogen compoundisoquinolonephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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