| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:35 UTC |
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| Update Date | 2025-03-25 00:53:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197961 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N2O2 |
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| Molecular Mass | 298.1681 |
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| SMILES | NCCCC1(c2ccc(O)cc2)NCCc2cc(O)ccc21 |
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| InChI Key | XJFJLZCJNFCWLC-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 | tetrahydroisoquinolines |
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| Subclass | 1-phenyltetrahydroisoquinolines |
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| Direct Parent | 1-phenyltetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsdialkylamineshydrocarbon derivativesmonoalkylaminesorganooxygen compoundsorganopnictogen compoundsphenylbutylamines |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietyazacycle1-hydroxy-2-unsubstituted benzenoidsecondary amine1-phenyltetrahydroisoquinolinephenylbutylamineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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