| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:23 UTC |
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| Update Date | 2025-03-21 18:01:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034661 |
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| Frequency | 103.6 |
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| Structure | |
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| Chemical Formula | C9H14NO5P |
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| Molecular Mass | 247.061 |
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| SMILES | Cc1ccc(COP(=O)(O)O)c(CN)c1O |
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| InChI Key | RDMBYLNKAPJKBV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | cresols |
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| Direct Parent | ortho cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstoluenes |
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| Substituents | monocyclic benzene moiety1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateo-cresolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundtolueneorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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