| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:41 UTC |
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| Update Date | 2025-03-25 00:54:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207374 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N2O6P+ |
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| Molecular Mass | 291.074 |
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| SMILES | Nc1cccc[n+]1C1CC(O)C(COP(=O)(O)O)O1 |
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| InChI Key | PTORCMPDZSZMRF-UHFFFAOYSA-O |
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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 | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphateorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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