| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:42 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO9P2 |
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| Molecular Mass | 314.9909 |
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| SMILES | O=Cc1ccc(COP(=O)(O)O)n1COP(=O)(O)O |
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| InChI Key | ILXWSPAWECNDDL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | monoalkyl phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydesubstituted pyrroleorganic oxidearyl-aldehydeorganic oxygen compoundmonoalkyl phosphatepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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