| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:29 UTC |
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| Update Date | 2025-03-25 00:49:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175004 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO6 |
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| Molecular Mass | 323.1369 |
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| SMILES | CCCCCC(=O)NC(COC(=O)c1ccccc1O)C(=O)O |
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| InChI Key | ZNUMMZJPZNGAIB-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 derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylic acid and derivativessecondary carboxylic acid amidesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidebenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha-amino acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acyl-aminearomatic 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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