| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:50 UTC |
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| Update Date | 2025-03-25 00:46:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155446 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N2O8P |
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| Molecular Mass | 364.1036 |
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| SMILES | Cc1ncc(CNC2OC(COP(=O)(O)O)C(O)C2O)c(C)c1O |
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| InChI Key | KMOXMFHQEHDIAU-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 | 1,2-diols2-halopyridinesazacyclic compoundsdialkylamineshemiaminalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatepolyhalopyridinepentose-5-phosphatehemiaminalorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic amineazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinesecondary amineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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