| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:25 UTC |
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| Update Date | 2025-03-21 17:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007104 |
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| Frequency | 716.8 |
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| Structure | |
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| Chemical Formula | C8H12NO4P |
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| Molecular Mass | 217.0504 |
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| SMILES | NCCc1ccc(OP(=O)(O)O)cc1 |
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| InChI Key | ZSZYCGVNBKEVPH-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 | hydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietyphenyl phosphatearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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