| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:38 UTC |
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| Update Date | 2025-03-21 18:38:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119145 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C13H14N7O10P |
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| Molecular Mass | 459.054 |
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| SMILES | Nc1nc2c(nc3c(=O)[nH]c(=O)nc-3n2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | SUPLNKWJPCPXTD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespterins and derivativespyrazinespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepentose-5-phosphatepyrimidonepteridinepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidepterincarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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