| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:44 UTC |
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| Update Date | 2025-03-21 17:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007856 |
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| Frequency | 706.0 |
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| Structure | |
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| Chemical Formula | C12H17N5O5 |
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| Molecular Mass | 311.123 |
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| SMILES | N=c1[nH]c(=O)c2c(CNC3OC(CO)C(O)C3O)c[nH]c2[nH]1 |
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| InChI Key | KGZNLZUEBKAGNR-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 compoundsdialkylamineshemiaminalsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonespyrrolessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactammonosaccharidepyrimidonehemiaminalpyrimidinesaccharideorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amidesecondary aliphatic amineazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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