| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:39 UTC |
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| Update Date | 2025-03-21 18:35:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104583 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C11H14N2O4 |
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| Molecular Mass | 238.0954 |
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| SMILES | COC(=O)C(N)CC(=O)c1cccc(O)c1N |
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| InChI Key | UQGONBIPQRMBCL-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl-phenylketonesalpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparyl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidketoneorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidealpha-amino acid ester1-hydroxy-4-unsubstituted benzenoidphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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