| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:35 UTC |
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| Update Date | 2025-03-21 18:34:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101969 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C10H8N2O3 |
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| Molecular Mass | 204.0535 |
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| SMILES | N#Cc1cccc(C(=O)NCC(=O)O)c1 |
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| InChI Key | GLBIQDHSPREUHE-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 | alpha amino acidsbenzonitrilesbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilecarboxylic acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrilehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinebenzonitrilearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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