| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:00 UTC |
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| Update Date | 2025-03-21 18:34:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100502 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C8H7N3O4 |
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| Molecular Mass | 209.0437 |
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| SMILES | O=C(O)Cc1c[nH]c2c(=O)[nH]c(=O)[nH]c12 |
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| InChI Key | NXFNVOGKWRZOTR-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarbonic acid derivativelactamcarboxylic acidazacycleheteroaromatic compoundpyrimidonecarboxylic acid derivativepyrimidinepyrrolopyrimidineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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