| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:23 UTC |
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| Update Date | 2025-03-25 00:54:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209046 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO6 |
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| Molecular Mass | 295.1056 |
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| SMILES | CC(C)C(=O)NC(COC(=O)c1ccccc1O)C(=O)O |
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| InChI Key | YATIHEHSYGBZIT-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylic acid and derivativessecondary carboxylic acid amidesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha-amino acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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