| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:21 UTC |
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| Update Date | 2025-03-21 18:03:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046609 |
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| Frequency | 71.8 |
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| Structure | |
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| Chemical Formula | C8H13NO8P2 |
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| Molecular Mass | 313.0116 |
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| SMILES | Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(C)c1O |
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| InChI Key | OIOQIIABVAXJOQ-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 | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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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 compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic pyrophosphateorganic oxidepyridinephosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compound |
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