| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:44 UTC |
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| Update Date | 2025-03-25 00:58:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230395 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17O7P |
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| Molecular Mass | 316.0712 |
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| SMILES | CCOP(=O)(O)Oc1ccc(CC2CCC(=O)O2)cc1O |
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| InChI Key | UZYVWFLWEZABPU-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 | benzene and substituted derivatives |
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| Subclass | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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