| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:04 UTC |
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| Update Date | 2025-03-21 18:34:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103167 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C17H19NO |
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| Molecular Mass | 253.1467 |
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| SMILES | COc1ccc2c(c1)C(Cc1ccccc1)NCC2 |
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| InChI Key | UEKUFAYJUCLXHR-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 | alkyl aryl ethersanisolesazacyclic compoundsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganopnictogen compoundstetrahydroisoquinolines |
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| Substituents | phenol ethersecondary aliphatic aminemonocyclic benzene moietyetherazacyclealkyl aryl ethersecondary aminebenzylisoquinolineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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