| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:00 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160196 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N3O3 |
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| Molecular Mass | 245.08 |
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| SMILES | Nc1ccn(C(C(=O)O)c2ccccc2)c(=O)n1 |
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| InChI Key | MRQXBVVQVFEKHH-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 | amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidonealpha-amino acid or derivativespyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundcarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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