| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:53 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180525 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N2O2 |
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| Molecular Mass | 296.1525 |
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| SMILES | COc1ccc(C2(CCCN)C(O)=Nc3ccccc32)cc1 |
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| InChI Key | BDLYZKRZPLPDOM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 3-alkylindolesalkyl aryl ethersanisolesazacyclic compoundscyclic carboximidic acidshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | phenol etheretherindole3-alkylindolealkyl aryl etherpropargyl-type 1,3-dipolar organic compoundphenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleindole or derivativesorganic 1,3-dipolar compoundmethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundcyclic carboximidic acidorganooxygen compound |
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