| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:58 UTC |
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| Update Date | 2025-03-25 00:54:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208044 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N3O4 |
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| Molecular Mass | 323.1845 |
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| SMILES | CC(C)CC(N)C(O)N=C(C(=O)O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | BAHXBWOIUXVHIS-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 benzenoidsalkanolaminesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidimine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesalkanolamineorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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