| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:50 UTC |
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| Update Date | 2025-03-21 17:58:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012791 |
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| Frequency | 371.0 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | CC(=O)NC(CCc1ccc(O)cc1)C(=O)O |
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| InChI Key | OUTPNPVIYCDYBC-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 benzenoidsacetamidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidn-acyl-alpha-amino acid1-hydroxy-2-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundacetamideorganooxygen compound |
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