| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:56 UTC |
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| Update Date | 2025-03-21 18:29:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078863 |
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| Frequency | 37.1 |
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| Structure | |
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| Chemical Formula | C13H15N5O5 |
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| Molecular Mass | 321.1073 |
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| SMILES | N=c1[nH]c(=O)c2c(CNC3C=C(C(=O)O)C(O)C3O)c[nH]c2[nH]1 |
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| InChI Key | OFTVRNSKNFMSCG-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 | 1,2-diolsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonespyrrolessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidpyrimidonecarboxylic acid derivativepyrimidinebeta-hydroxy acidorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundhydroxy acidsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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