| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:10 UTC |
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| Update Date | 2025-03-25 00:49:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171971 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N4O6 |
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| Molecular Mass | 312.107 |
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| SMILES | CN=c1[nH]c(=O)c2c(OC3OC(CO)C(O)C3O)c[nH]c2[nH]1 |
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| InChI Key | YQTSHAMPJPXPCZ-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 | acetalsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonespyrrolessecondary alcoholstetrahydrofuransvinylogous amidesvinylogous esters |
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| Substituents | lactammonosaccharidepyrimidonepyrimidinesaccharideorganic oxidepyrrolo[2,3-d]pyrimidineacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amideazacyclevinylogous estertetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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