| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:28 UTC |
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| Update Date | 2025-03-21 17:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016394 |
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| Frequency | 260.7 |
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| Structure | |
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| Chemical Formula | C11H15O8P |
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| Molecular Mass | 306.0505 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OP(=O)(O)O |
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| InChI Key | TUOQWMXYTULAJK-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 | acyl monophosphates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic phosphoric acids and derivativessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupacyl monophosphate1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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