| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:32 UTC |
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| Update Date | 2025-03-25 00:47:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161370 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N4O8 |
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| Molecular Mass | 370.1125 |
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| SMILES | NC(Cc1cn(C2OC(CO)C(O)C2O)c2c(=O)[nH]c(=O)[nH]c12)C(=O)O |
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| InChI Key | JXDZUBCVODXKKH-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonespyrrolopyrimidinessecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidmonosaccharidepyrimidonesubstituted pyrrolepyrimidinepyrrolopyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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