| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:26 UTC |
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| Update Date | 2025-03-21 18:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032395 |
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| Frequency | 133.1 |
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| Structure | |
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| Chemical Formula | C11H12N2O5 |
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| Molecular Mass | 252.0746 |
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| SMILES | COc1ccc(NC=O)c(C(=O)NCC(=O)O)c1 |
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| InChI Key | VJBUXDVGMQCVIO-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acylaminobenzoic acid and derivativesalkyl aryl ethersalpha amino acidsanilidesanisolesbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoyln-arylamidealkyl aryl etherbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amideacylaminobenzoic acid or derivativeshippuric acid or derivativesbenzoic acid or derivativescarboxamide groupmethoxybenzenen-acylglycinearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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