| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:11 UTC |
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| Update Date | 2025-03-25 00:54:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203955 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO11P2 |
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| Molecular Mass | 437.0277 |
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| SMILES | O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c2ccccc12 |
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| InChI Key | PRPHLUCPDBHMQR-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | pentose phosphatepolyhalopyridinepentose-5-phosphateorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinedihydroquinolineorganic pyrophosphateoxacycledihydroquinolonepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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