| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:33 UTC |
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| Update Date | 2025-03-21 18:29:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080357 |
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| Frequency | 36.2 |
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| Structure | |
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| Chemical Formula | C13H16N4O4 |
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| Molecular Mass | 292.1172 |
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| SMILES | Cn1c(=O)[nH]c2[nH]cc(CNC3C=CC(O)C3O)c2c1=O |
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| InChI Key | QRNDCEJAGPHBIS-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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