| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:52 UTC |
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| Update Date | 2025-03-21 18:30:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083471 |
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| Frequency | 34.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O |
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| Molecular Mass | 231.1372 |
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| SMILES | NC(Cc1ccccc1)C(O)Cn1ccnc1 |
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| InChI Key | LLPLDIIXABYMFL-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 heteromonocyclic compounds |
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| Alternative Parents | amphetamines and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-substituted imidazolesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundphenylbutylamineorganic oxygen compoundimidazoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamphetamine or derivativesazolen-substituted imidazole |
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