| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:46 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178021 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O7 |
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| Molecular Mass | 342.1175 |
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| SMILES | Cn1c(N)nc2[nH]cc(OC3OC(CO)C(O)C(O)C3O)c2c1=O |
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| InChI Key | HGXAABKGYCCXIJ-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 oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary aminespyrimidonespyrrolessecondary alcoholsvinylogous amidesvinylogous esters |
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| Substituents | lactammonosaccharidepyrimidonepyrimidinesaccharideorganic oxidepyrrolo[2,3-d]pyrimidineacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholalcoholvinylogous amideazacyclevinylogous esterheteroaromatic compoundoxacycleorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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