| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:33 UTC |
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| Update Date | 2025-03-21 18:34:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101865 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C16H17NO |
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| Molecular Mass | 239.131 |
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| SMILES | OC(c1ccccc1)C1NCCc2ccccc21 |
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| InChI Key | ZAQZQKJGYHWKNF-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 | aromatic alcoholsazacyclic compoundsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcoholstetrahydroisoquinolines |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminemonocyclic benzene moietyazacyclesecondary aminebenzylisoquinolineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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