| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:42 UTC |
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| Update Date | 2025-03-25 00:56:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216825 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO3 |
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| Molecular Mass | 263.1521 |
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| SMILES | CC(C)CC(=NC(C)Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | XZXXVGYNPFTTAZ-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 benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidimine1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundphenylpropanearomatic homomonocyclic compoundsecondary ketimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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