| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:52 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O5 |
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| Molecular Mass | 280.1059 |
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| SMILES | COC(=O)C(N)CC(=O)c1cc(OC)ccc1NC=O |
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| InChI Key | WBAXZLBSKNERMZ-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 | alpha amino acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl-phenylketonesalpha amino acidsanilidesanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonesfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheraryl alkyl ketonebenzoyln-arylamidealkyl aryl etherketoneorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidealpha-amino acid estercarboxamide groupmethoxybenzenephenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidcarboxylic acid esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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