| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:04 UTC |
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| Update Date | 2025-03-21 18:02:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041066 |
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| Frequency | 83.9 |
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| Structure | |
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| Chemical Formula | C13H17NO5 |
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| Molecular Mass | 267.1107 |
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| SMILES | COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)O |
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| InChI Key | PVZCQMVAXIJNHF-UHFFFAOYSA-N |
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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 acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalcoholtyrosine or derivativesalpha-amino acid estern-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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