| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:44 UTC |
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| Update Date | 2025-03-25 00:59:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235021 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19NO12P2 |
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| Molecular Mass | 419.0382 |
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| SMILES | Cc1ncc(COP(=O)(O)O)c(C(O)C(O)C(O)COP(=O)(O)O)c1O |
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| InChI Key | DBQXRRQJNKJQRC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridoxines |
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| Direct Parent | pyridoxines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyridoxineorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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