| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:57 UTC |
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| Update Date | 2025-03-25 00:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224336 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6N2O3 |
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| Molecular Mass | 178.0378 |
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| SMILES | O=C(O)C1=CC(=O)c2c[nH]c(c2)N1 |
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| InChI Key | UYEUWURZOARKAP-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 |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaryl ketonesazacyclic compoundsazepinescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundazepinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminearyl ketone |
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