| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:22 UTC |
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| Update Date | 2025-03-21 18:36:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108795 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C8H12NO6P |
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| Molecular Mass | 249.0402 |
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| SMILES | NCCc1cc(O)c(O)c(OP(=O)(O)O)c1 |
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| InChI Key | UWHPFKRPWBUDQJ-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 | phenyl phosphates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidphenyl phosphatearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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