| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:21 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220675 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O5 |
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| Molecular Mass | 186.0277 |
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| SMILES | O=C(O)Cn1c(C(=O)O)c[nH]c1=O |
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| InChI Key | MVDVQMXOPDBMCH-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 | azacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarbonic acid derivativecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-amino acid or derivativesorganic oxideorganic oxygen compoundimidazoleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl grouporganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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