| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:21 UTC |
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| Update Date | 2025-03-21 18:36:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111188 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C13H20NO3+ |
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| Molecular Mass | 238.1438 |
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| SMILES | COC(=O)C(Cc1ccc(O)cc1)[N+](C)(C)C |
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| InChI Key | OWZKXVCBXAYLDK-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid estersalpha amino acidsaminesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenylalanine and derivativestetraalkylammonium salts |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestyrosine or derivativestetraalkylammonium saltalpha-amino acid esterquaternary ammonium saltaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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