| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:14 UTC |
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| Update Date | 2025-03-25 00:45:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151675 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N4O6 |
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| Molecular Mass | 298.0913 |
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| SMILES | Cn1c(=O)[nH]c(=O)c2c(=O)[nH]n(C3CC(O)C(CO)O3)c21 |
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| InChI Key | CRKWOEYJFLMXDH-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | xanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrazolespyrazolo[3,4-d]pyrimidinespyrazolonespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactammonosaccharidepyrimidonepyrazolepyrimidinesaccharideorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholazolepyrazolo[3,4-d]pyrimidinealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundxanthineoxacyclealkaloid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundpyrazolinone |
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