| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:35 UTC |
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| Update Date | 2025-03-21 17:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021089 |
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| Frequency | 190.3 |
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| Structure | |
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| Chemical Formula | C10H14N2O13P2 |
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| Molecular Mass | 431.9971 |
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| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1 |
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| InChI Key | PLUXRTFRHGLLOI-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 | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidinecarboxylic acidspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepyrimidonecarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganic phosphoric acid derivativealkyl phosphate |
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