| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:54 UTC |
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| Update Date | 2025-03-25 00:48:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169063 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28N4O5 |
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| Molecular Mass | 380.206 |
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| SMILES | CC(C)CC(N=C(O)C(N)Cc1ccc(O)cc1)C(O)=NC(CN)C(=O)O |
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| InChI Key | WVEBHUPQZJSPGU-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 benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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