Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:14:26 UTC |
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Update Date | 2025-03-21 18:33:37 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00096690 |
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Frequency | 28.6 |
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Structure | |
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Chemical Formula | C13H13N7O7 |
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Molecular Mass | 379.0876 |
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SMILES | Nc1nc2c(nc3c(=O)[nH]c(=O)nc-3n2C2OC(CO)C(O)C2O)c(=O)[nH]1 |
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InChI Key | BCLAVUIAJGBIMS-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 | pteridines and derivatives |
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Subclass | pterins and derivatives |
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Direct Parent | pterins and derivatives |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrazinespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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Substituents | lactammonosaccharidepyrimidonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amidepterincarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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