Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:40:24 UTC |
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Update Date | 2025-03-25 00:46:41 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02156698 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C10H9N3O4 |
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Molecular Mass | 235.0593 |
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SMILES | O=C1CCC(c2c[nH]c3[nH]c(=O)[nH]c(=O)c23)O1 |
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InChI Key | HCJIJMUBXMJNTG-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 | pyrrolo[2,3-d]pyrimidines |
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Direct Parent | pyrrolo[2,3-d]pyrimidines |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonespyrrolestetrahydrofuransvinylogous amides |
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Substituents | carbonyl grouplactampyrimidonecarboxylic acid derivativepyrimidinelactoneorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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