| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:51 UTC |
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| Update Date | 2025-03-21 18:02:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040535 |
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| Frequency | 85.2 |
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| Structure | |
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| Chemical Formula | C11H15N2O12P |
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| Molecular Mass | 398.0363 |
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| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C(O)C1O |
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| InChI Key | RLNYGGXMVYYRKB-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 | hexose 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 oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyrimidinecarboxylic acidspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | lactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonecarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundoxanepyrimidine-6-carboxylic acidorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganic phosphoric acid derivativealkyl phosphate |
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