| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:47 UTC |
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| Update Date | 2025-03-21 18:05:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059268 |
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| Frequency | 53.1 |
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| Structure | |
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| Chemical Formula | C12H17O9P |
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| Molecular Mass | 336.061 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OCOP(=O)(O)O |
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| InChI Key | WLPKRBBGXJUPON-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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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 compoundscarboxylic acid estershydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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