| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:56 UTC |
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| Update Date | 2025-03-25 00:49:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171459 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N4O7 |
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| Molecular Mass | 354.1175 |
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| SMILES | CN(C)c1nc(=O)c2c([nH]1)c(C(=O)O)cn2C1OC(CO)C(O)C1O |
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| InChI Key | XTIGMHVHCWFIMP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolopyrimidines |
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| Subclass | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaminopyrimidines and derivativesazacyclic compoundsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonespyrrole carboxylic acidssecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativesmonosaccharidepyrimidonesubstituted pyrrolecarboxylic acid derivativepyrimidinepyrrolopyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compounddialkylarylamineprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundaminopyrimidineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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