| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:34 UTC |
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| Update Date | 2025-03-21 18:37:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114149 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C7H7NO3 |
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| Molecular Mass | 153.0426 |
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| SMILES | O=Cc1cccn1CC(=O)O |
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| InChI Key | VQNKRZLHJSBDGY-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 heteromonocyclic compounds |
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| Alternative Parents | aryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydealpha-amino acid or derivativessubstituted pyrroleorganic oxidemonocarboxylic acid or derivativesaryl-aldehydeorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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