| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:35 UTC |
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| Update Date | 2025-03-25 00:47:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159299 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16NO8P |
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| Molecular Mass | 357.0614 |
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| SMILES | O=P(O)(O)OCC1OC(Oc2ccnc3ccccc23)C(O)C1O |
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| InChI Key | OQQYROIQEDXGRS-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-halopyridinesacetalsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesquinolines and derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepolyhalopyridinepentose-5-phosphateorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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