| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:48 UTC |
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| Update Date | 2025-03-25 00:46:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155395 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18NO11P |
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| Molecular Mass | 395.0617 |
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| SMILES | Cc1ncc(C2OC(COP(=O)(O)O)C(O)C(O)C2O)c(C(=O)O)c1O |
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| InChI Key | FADRQHPUDMEETL-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 | 1-carboxy-2-haloaromatic compounds2-halopyridinesazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyridinecarboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativedialkyl etherorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineoxaneorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclevinylogous acidmonocarboxylic acid or derivativespyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholpyridine carboxylic acidhexose phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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