| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:01 UTC |
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| Update Date | 2025-03-25 00:51:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187676 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N3O2 |
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| Molecular Mass | 261.1477 |
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| SMILES | CC(C)C(C#N)N=C(O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | SBKVEGBOGFSYMZ-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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarboximidic acidshydrocarbon derivativesmonoalkylaminesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidnitrile1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrileorganooxygen compoundamphetamine or derivatives |
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