| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:34 UTC |
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| Update Date | 2025-03-21 17:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007436 |
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| Frequency | 679.1 |
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| Structure | |
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| Chemical Formula | C8H13NO9P2 |
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| Molecular Mass | 329.0066 |
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| SMILES | Cc1ncc(COP(=O)(O)O)c(COP(=O)(O)O)c1O |
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| InChI Key | MHWCCIJUTMGDIE-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 | pyridoxine-5'-phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | aromatic heteromonocyclic compoundazacyclepyridoxine-5'-phosphatepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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