| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:54 UTC |
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| Update Date | 2025-03-25 00:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180577 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21N3O |
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| Molecular Mass | 295.1685 |
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| SMILES | COc1ccc(C(CCCN)c2nc3ccccc3[nH]2)cc1 |
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| InChI Key | IVHOKPLJBQNKEW-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 | alkyl aryl ethersanisolesazacyclic compoundsbenzimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol etheretherazacycleheteroaromatic compoundalkyl aryl ethermethoxybenzenephenylbutylamineorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganoheterocyclic compoundorganooxygen compoundazole |
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