| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:02 UTC |
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| Update Date | 2025-03-21 18:38:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122449 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C9H12N3O9P |
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| Molecular Mass | 337.0311 |
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| SMILES | Nc1ccn(C2OC(C(=O)OP(=O)(O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | SFWGHDVCTPUYSO-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacyl monophosphatesamino acids and derivativesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundpentose phosphateamino acid or derivativespentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranacyl monophosphateheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeamineacyl phosphate |
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