| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:58 UTC |
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| Update Date | 2025-03-21 17:58:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013127 |
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| Frequency | 356.1 |
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| Structure | |
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| Chemical Formula | C12H14N4O4 |
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| Molecular Mass | 278.1015 |
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| SMILES | O=c1[nH]c(=O)c2c(CNC3C=CC(O)C3O)c[nH]c2[nH]1 |
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| InChI Key | SHYPLCXBLMGTOE-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-diolsazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonespyrrolessecondary alcoholsvinylogous amides |
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| Substituents | lactampyrimidonepyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycleheteroaromatic compoundsecondary amineorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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