| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:29 UTC |
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| Update Date | 2025-03-21 17:59:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018613 |
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| Frequency | 222.0 |
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| Structure | |
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| Chemical Formula | C16H17NO2 |
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| Molecular Mass | 255.1259 |
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| SMILES | Oc1ccc(CC2NCCc3ccccc32)cc1O |
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| InChI Key | VWTDJIDABVMGQN-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 compoundsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundstetrahydroisoquinolines |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietyazacycle1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary aminebenzylisoquinolineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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