| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:07 UTC |
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| Update Date | 2025-03-25 00:55:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO5P |
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| Molecular Mass | 273.0766 |
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| SMILES | C=Cc1cc(C)c(O)c(CN)c1COP(=O)(O)O |
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| InChI Key | LEKVEIYGSGKYOG-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 | hydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenolstoluenes |
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| Substituents | monocyclic benzene moietyaromatic 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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