| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:25 UTC |
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| Update Date | 2025-03-21 18:06:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065518 |
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| Frequency | 46.7 |
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| Structure | |
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| Chemical Formula | C11H12N2O3 |
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| Molecular Mass | 220.0848 |
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| SMILES | Cc1cc2[nH]c(=O)n(CC(=O)O)c2cc1C |
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| InChI Key | ADTPKPLGZMRYJK-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 acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsbenzimidazolescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidazacycleheteroaromatic compoundalpha-amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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